ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N~2~-(3-methoxypropyl)-N~2~-[(4-methylphenyl)sulfonyl]-N-[(3-methyl-2-thienyl)methyl]glycinamide | C27H32N2O6S2

N-(1,3-Benzodioxol-5-ylmethyl)-N2-(3-methoxypropyl)-N2-[(4-methylphenyl)sulfonyl]-N-[(3-methyl-2-thienyl)methyl]glycinamide

  • Molecular FormulaC27H32N2O6S2
  • Average mass544.683 Da
  • Monoisotopic mass544.170166 Da
  • ChemSpider ID22580912

More details:

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

Acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxypropyl)[(4-methylphenyl)sulfonyl]amino]-N-[(3-methyl-2-thienyl)methyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N2-(3-methoxypropyl)-N2-[(4-methylphenyl)sulfonyl]-N-[(3-methyl-2-thienyl)methyl]glycinamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N2-(3-methoxypropyl)-N2-[(4-methylphenyl)sulfonyl]-N-[(3-methyl-2-thienyl)methyl]glycinamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N2-(3-méthoxypropyl)-N2-[(4-méthylphényl)sulfonyl]-N-[(3-méthyl-2-thiényl)méthyl]glycinamide [French] [ACD/IUPAC Name]
N1-(1,3-benzodioxol-5-ylmethyl)-2-{(3-methoxypropyl)[(4-methylphenyl)sulfonyl]amino}-N1-[(3-methyl-2-thienyl)methyl]acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.5±35.7 °C
Index of Refraction: 1.609
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 892.71
ACD/KOC (pH 5.5): 4505.25
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 892.71
ACD/KOC (pH 7.4): 4505.25
Polar Surface Area: 122 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 419.4±3.0 cm3

Click to predict properties on the Chemicalize site


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