ChemSpider 2D Image | trans-4-({[(4-Methoxyphenyl)sulfonyl]amino}methyl)-N-[(2S)-3-methyl-1-oxo-1-(1-piperidinyl)-2-butanyl]cyclohexanecarboxamide | C25H39N3O5S

trans-4-({[(4-Methoxyphenyl)sulfonyl]amino}methyl)-N-[(2S)-3-methyl-1-oxo-1-(1-piperidinyl)-2-butanyl]cyclohexanecarboxamide

  • Molecular FormulaC25H39N3O5S
  • Average mass493.659 Da
  • Monoisotopic mass493.261047 Da
  • ChemSpider ID22883379

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Cyclohexanecarboxamide, 4-[[[(4-methoxyphenyl)sulfonyl]amino]methyl]-N-[(1S)-2-methyl-1-(1-piperidinylcarbonyl)propyl]-, trans- [ACD/Index Name]
trans-4-({[(4-Methoxyphenyl)sulfonyl]amino}methyl)-N-[(2S)-3-methyl-1-oxo-1-(1-piperidinyl)-2-butanyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-4-({[(4-Methoxyphenyl)sulfonyl]amino}methyl)-N-[(2S)-3-methyl-1-oxo-1-(1-piperidinyl)-2-butanyl]cyclohexanecarboxamide [ACD/IUPAC Name]
trans-4-({[(4-Méthoxyphényl)sulfonyl]amino}méthyl)-N-[(2S)-3-méthyl-1-oxo-1-(1-pipéridinyl)-2-butanyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
1212200-24-2 [RN]
trans-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-N-[(2S)-3-methyl-1-oxo-1-(piperidin-1-yl)butan-2-yl]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: 1.543
    Molar Refractivity: 132.5±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.97
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 246.64
    ACD/KOC (pH 5.5): 1794.09
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 246.63
    ACD/KOC (pH 7.4): 1794.02
    Polar Surface Area: 113 Å2
    Polarizability: 52.5±0.5 10-24cm3
    Surface Tension: 45.0±3.0 dyne/cm
    Molar Volume: 420.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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