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Search term: YUTOYRGOUOLGGU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(3S)-1-({(3R)-3-[(4,4-Dimethylcyclohexyl)amino]-1-pyrrolidinyl}carbonyl)-3-pyrrolidinyl]-N-methyl-5-phenyl-2-thiophenecarboxamide | C29H40N4O2S

N-[(3S)-1-({(3R)-3-[(4,4-Dimethylcyclohexyl)amino]-1-pyrrolidinyl}carbonyl)-3-pyrrolidinyl]-N-methyl-5-phenyl-2-thiophenecarboxamide

  • Molecular FormulaC29H40N4O2S
  • Average mass508.719 Da
  • Monoisotopic mass508.287201 Da
  • ChemSpider ID23276192

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboxamide, N-[(3S)-1-[[(3R)-3-[(4,4-dimethylcyclohexyl)amino]-1-pyrrolidinyl]carbonyl]-3-pyrrolidinyl]-N-methyl-5-phenyl- [ACD/Index Name]
N-[(3S)-1-({(3R)-3-[(4,4-Dimethylcyclohexyl)amino]-1-pyrrolidinyl}carbonyl)-3-pyrrolidinyl]-N-methyl-5-phenyl-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[(3S)-1-({(3R)-3-[(4,4-Dimethylcyclohexyl)amino]-1-pyrrolidinyl}carbonyl)-3-pyrrolidinyl]-N-methyl-5-phenyl-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(3S)-1-({(3R)-3-[(4,4-Diméthylcyclohexyl)amino]-1-pyrrolidinyl}carbonyl)-3-pyrrolidinyl]-N-méthyl-5-phényl-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-[(3S)-1-({(3R)-3-[(4,4-dimethylcyclohexyl)amino]pyrrolidin-1-yl}carbonyl)pyrrolidin-3-yl]-N-methyl-5-phenylthiophene-2-carboxamide
CHEMBL384145
N-((S)-1-((R)-3-(4,4-dimethylcyclohexylamino)pyrrolidine-1-carbonyl)pyrrolidin-3-yl)-N-methyl-5-phenylthiophene-2-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 667.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.3±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 13.29
ACD/KOC (pH 7.4): 50.71
Polar Surface Area: 84 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 414.8±5.0 cm3

Click to predict properties on the Chemicalize site


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