ChemSpider 2D Image | 5-Chloro-N-{(2S)-2-({[2-(difluoromethoxy)-3-(2-oxo-1-piperidinyl)phenyl]sulfonyl}amino)-3-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-3-oxopropyl}-2-thiophenecarboxamide | C26H32ClF2N5O6S2

5-Chloro-N-{(2S)-2-({[2-(difluoromethoxy)-3-(2-oxo-1-piperidinyl)phenyl]sulfonyl}amino)-3-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-3-oxopropyl}-2-thiophenecarboxamide

  • Molecular FormulaC26H32ClF2N5O6S2
  • Average mass648.142 Da
  • Monoisotopic mass647.145081 Da
  • ChemSpider ID31129831

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboxamide, 5-chloro-N-[(2S)-2-[[[2-(difluoromethoxy)-3-(2-oxo-1-piperidinyl)phenyl]sulfonyl]amino]-3-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-3-oxopropyl]- [ACD/Index Name]
5-Chlor-N-{(2S)-2-({[2-(difluormethoxy)-3-(2-oxo-1-piperidinyl)phenyl]sulfonyl}amino)-3-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-3-oxopropyl}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-Chloro-N-{(2S)-2-({[2-(difluoromethoxy)-3-(2-oxo-1-piperidinyl)phenyl]sulfonyl}amino)-3-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-3-oxopropyl}-2-thiophenecarboxamide [ACD/IUPAC Name]
5-Chloro-N-{(2S)-2-({[2-(difluorométhoxy)-3-(2-oxo-1-pipéridinyl)phényl]sulfonyl}amino)-3-[(3S)-3-(diméthylamino)-1-pyrrolidinyl]-3-oxopropyl}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
5-Chloro-Thiophene-2-Carboxylic Acid [(S)-2-[2-Difluoromethoxy-3-(2-Oxo-Piperidin-1-Yl)-Benzenesulfonylamino]-3-((S)-3-Dimethylamino-Pyrrolidin-1-Yl)-3-Oxo-Propyl]-Amide
7R9

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 154.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 33.87
Polar Surface Area: 165 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 433.8±5.0 cm3

Click to predict properties on the Chemicalize site


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