ChemSpider 2D Image | N-{[(2S)-1-Ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide | C17H26N2O4S

N-{[(2S)-1-Ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide

  • Molecular FormulaC17H26N2O4S
  • Average mass354.464 Da
  • Monoisotopic mass354.161316 Da
  • ChemSpider ID23157182

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-5-(ethylsulfonyl)-2-methoxy- [ACD/Index Name]
N-{[(2S)-1-Ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamid [German] [ACD/IUPAC Name]
N-{[(2S)-1-Ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide [ACD/IUPAC Name]
N-{[(2S)-1-Éthyl-2-pyrrolidinyl]méthyl}-5-(éthylsulfonyl)-2-méthoxybenzamide [French] [ACD/IUPAC Name]
N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide
258-641-9 [EINECS]
53583-79-2 [RN]
5-Ethanesulfonyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-methoxy-benzamide((S)-sultopride)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL278044/
SULTOPRIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 530.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.3±30.1 °C
Index of Refraction: 1.526
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 84 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

Click to predict properties on the Chemicalize site


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