ChemSpider 2D Image | N-[(2S)-1-{[(2S)-1-(Isobutylamino)-1-oxo-2-butanyl]amino}-3-phenyl-2-propanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide | C35H47N5O5S

N-[(2S)-1-{[(2S)-1-(Isobutylamino)-1-oxo-2-butanyl]amino}-3-phenyl-2-propanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide

  • Molecular FormulaC35H47N5O5S
  • Average mass649.843 Da
  • Monoisotopic mass649.329773 Da
  • ChemSpider ID28669341

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, 5-[methyl(methylsulfonyl)amino]-N1-[(1S)-2-[[(1S)-1-[[(2-methylpropyl)amino]carbonyl]propyl]amino]-1-(phenylmethyl)ethyl]-N3-[(1R)-1-phenylethyl]- [ACD/Index Name]
N-[(2S)-1-{[(2S)-1-(Isobutylamino)-1-oxo-2-butanyl]amino}-3-phényl-2-propanyl]-5-[méthyl(méthylsulfonyl)amino]-N'-[(1R)-1-phényléthyl]isophtalamide [French] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-1-(Isobutylamino)-1-oxo-2-butanyl]amino}-3-phenyl-2-propanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-1-(Isobutylamino)-1-oxo-2-butanyl]amino}-3-phenyl-2-propanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 182.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 30.55
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 108.86
ACD/KOC (pH 7.4): 877.56
Polar Surface Area: 145 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 548.8±3.0 cm3

Click to predict properties on the Chemicalize site


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