N-cyclopentyl-N-{[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl}thiophene-2-sulfonamide

• ChemBase ID: 633818
• Molecular Formular: C23H31NO6S2
• Molecular Mass: 481.62534
• Monoisotopic Mass: 481.15927972
• SMILES: S(=O)(=O)(N(Cc1cc(c(c(c1)OC)OCC1OCCC1)OC)C1CCCC1)c1sccc1
• Canonical SMILES: COc1cc(cc(c1OCC1CCCO1)OC)CN(S(=O)(=O)c1cccs1)C1CCCC1
• InChI: InChI=1S/C23H31NO6S2/c1-27-20-13-17(14-21(28-2)23(20)30-16-19-9-5-11-29-19)15-24(18-7-3-4-8-18)32(25,26)22-10-6-12-31-22/h6,10,12-14,18-19H,3-5,7-9,11,15-16H2,1-2H3
• InChIKey: RWDBMLWUGORCML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-{[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl}thiophene-2-sulfonamide
• IUPAC Traditional name: N-cyclopentyl-N-{[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl}thiophene-2-sulfonamide
• Synonyms: N-cyclopentyl-N-[3,5-dimethoxy-4-(tetrahydro-2-furanylmethoxy)benzyl]-2-thiophenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.9978168
• LogD (pH = 7.4): 3.9978168
• Log P: 3.9978168
• Molar Refractivity: 122.9451 cm^3
• Polarizability: 49.145344 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.95
• LOG S: -2.34
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 7