ChemSpider 2D Image | 3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)(~2~H)carbamoyl](~2~H)sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-(~2~H)carboxamide | C24H31D3N4O5S

3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)(2H)carbamoyl](2H)sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-(2H)carboxamide

  • Molecular FormulaC24H31D3N4O5S
  • Average mass493.634 Da
  • Monoisotopic mass493.243805 Da
  • ChemSpider ID95636560

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrrole-1-carboxamide-d, 3-ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino-d]carbonyl]amino-d]sulfonyl]phenyl]ethyl]-2-oxo- [ACD/Index Name]
3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)(2H)carbamoyl](2H)sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-(2H)carboxamid [German] [ACD/IUPAC Name]
3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)(2H)carbamoyl](2H)sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-(2H)carboxamide [ACD/IUPAC Name]
3-Éthyl-4-méthyl-N-[2-(4-{[(trans-4-méthylcyclohexyl)(2H)carbamoyl](2H)sulfamoyl}phényl)éthyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-(2H)carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 17.84
ACD/KOC (pH 5.5): 149.25
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 14.55
Polar Surface Area: 133 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 378.8±5.0 cm3

Click to predict properties on the Chemicalize site


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