ChemSpider 2D Image | N-{(2S)-3-[(2R,5S)-2-(3-Aminopropyl)-5-benzyl-3-oxo-4-morpholinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide | C30H43N3O6S

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

  • Molecular FormulaC30H43N3O6S
  • Average mass573.744 Da
  • Monoisotopic mass573.287231 Da
  • ChemSpider ID17233831

  • 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-aminopropyl)-3-oxo-5-(phenylmethyl)-4-morpholinyl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxy- [ACD/Index Name]
N-{(2S)-3-[(2R,5S)-2-(3-Aminopropyl)-5-benzyl-3-oxo-4-morpholinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
N-{(2S)-3-[(2R,5S)-2-(3-Aminopropyl)-5-benzyl-3-oxo-4-morpholinyl]-2-hydroxypropyl}-N-(cyclopentylméthyl)-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-{(2S)-3-[(2R,5S)-2-(3-Aminopropyl)-5-benzyl-3-oxo-4-morpholinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
N-{(2S)-3-[(2R,5S)-2-(3-aminopropyl)-5-benzyl-3-oxomorpholin-4-yl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
morpholinone-based inhibitor 28
N-((S)-3-((2R,5S)-2-(3-aminopropyl)-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: 1.2±0.1 g/cm3
Boiling Point: 768.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.6±35.7 °C
Index of Refraction: 1.575
Molar Refractivity: 156.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.19
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 8.07
Polar Surface Area: 131 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 471.7±3.0 cm3

Click to predict properties on the Chemicalize site


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