ChemSpider 2D Image | trans-N-{(2S)-3-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-butanyl}-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide | C24H37N3O5S

trans-N-{(2S)-3-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-butanyl}-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide

  • Molecular FormulaC24H37N3O5S
  • Average mass479.633 Da
  • Monoisotopic mass479.245392 Da
  • ChemSpider ID22883483

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-[(1S)-2-methyl-1-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]propyl]-4-[[(phenylsulfonyl)amino]methyl]-, trans- [ACD/Index Name]
trans-N-{(2S)-3-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-butanyl}-4-{[(phenylsulfonyl)amino]methyl}cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-N-{(2S)-3-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-butanyl}-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-{(2S)-3-Méthyl-1-oxo-1-[(tétrahydro-2-furanylméthyl)amino]-2-butanyl}-4-{[(phénylsulfonyl)amino]méthyl}cyclohexanecarboxamide [French] [ACD/IUPAC Name]
1214626-74-0 [RN]
trans-N-{(2S)-3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide

    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: 1.539
    Molar Refractivity: 127.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 2.43
    ACD/BCF (pH 5.5): 41.34
    ACD/KOC (pH 5.5): 499.55
    ACD/LogD (pH 7.4): 2.43
    ACD/BCF (pH 7.4): 41.33
    ACD/KOC (pH 7.4): 499.50
    Polar Surface Area: 122 Å2
    Polarizability: 50.6±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 407.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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