ChemSpider 2D Image | N-{(2S)-3-[(2R,5S)-5-Benzyl-2-(3-cyanobenzyl)-3-oxo-4-morpholinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide | C35H41N3O6S

N-{(2S)-3-[(2R,5S)-5-Benzyl-2-(3-cyanobenzyl)-3-oxo-4-morpholinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide

  • Molecular FormulaC35H41N3O6S
  • Average mass631.781 Da
  • Monoisotopic mass631.271606 Da
  • ChemSpider ID17233823

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzenesulfonamide, N-[(2S)-3-[(2R,5S)-2-[(3-cyanophenyl)methyl]-3-oxo-5-(phenylmethyl)-4-morpholinyl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxy- [ACD/Index Name]
N-{(2S)-3-[(2R,5S)-5-Benzyl-2-(3-cyanbenzyl)-3-oxo-4-morpholinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
N-{(2S)-3-[(2R,5S)-5-Benzyl-2-(3-cyanobenzyl)-3-oxo-4-morpholinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
N-{(2S)-3-[(2R,5S)-5-Benzyl-2-(3-cyanobenzyl)-3-oxo-4-morpholinyl]-2-hydroxypropyl}-N-(cyclopentylméthyl)-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-{(2S)-3-[(2R,5S)-5-benzyl-2-(3-cyanobenzyl)-3-oxomorpholin-4-yl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL405545/
morpholinone-based inhibitor 10
N-((S)-3-((2R,5S)-2-(3-cyanobenzyl)-5-benzyl-3-oxomorpholino)-2-hydroxypropyl)-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 829.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.5±37.1 °C
Index of Refraction: 1.638
Molar Refractivity: 172.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8871.34
ACD/KOC (pH 5.5): 23311.00
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8871.33
ACD/KOC (pH 7.4): 23310.97
Polar Surface Area: 129 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 479.9±5.0 cm3

Click to predict properties on the Chemicalize site


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