ChemSpider 2D Image | trans-N-{(2R)-3-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-butanyl}-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide | C25H39N3O5S

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

  • Molecular FormulaC25H39N3O5S
  • Average mass493.659 Da
  • Monoisotopic mass493.261047 Da
  • ChemSpider ID22882608

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Cyclohexanecarboxamide, 4-[[[(4-methylphenyl)sulfonyl]amino]methyl]-N-[(1R)-2-methyl-1-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]propyl]-, trans- [ACD/Index Name]
trans-N-{(2R)-3-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-butanyl}-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-N-{(2R)-3-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-butanyl}-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-{(2R)-3-Méthyl-1-oxo-1-[(tétrahydro-2-furanylméthyl)amino]-2-butanyl}-4-({[(4-méthylphényl)sulfonyl]amino}méthyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
1212460-99-5 [RN]
trans-N-{(2R)-3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}-4-({[(4-methylphenyl)sulfonyl]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: 1.537
    Molar Refractivity: 132.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 2.39
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 94.80
    ACD/KOC (pH 5.5): 904.92
    ACD/LogD (pH 7.4): 2.90
    ACD/BCF (pH 7.4): 94.79
    ACD/KOC (pH 7.4): 904.87
    Polar Surface Area: 122 Å2
    Polarizability: 52.4±0.5 10-24cm3
    Surface Tension: 43.6±3.0 dyne/cm
    Molar Volume: 423.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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