2,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-3-yl)ethoxy]phenyl}methyl)benzene-1-sulfonamide

• ChemBase ID: 333224
• Molecular Formular: C26H31NO6S2
• Molecular Mass: 517.65744
• Monoisotopic Mass: 517.15927972
• SMILES: S(=O)(=O)(c1cc(ccc1OC)OC)N(CC1OCCC1)Cc1cc(OCCc2cscc2)ccc1
• Canonical SMILES: COc1ccc(cc1S(=O)(=O)N(Cc1cccc(c1)OCCc1cscc1)CC1CCCO1)OC
• InChI: InChI=1S/C26H31NO6S2/c1-30-22-8-9-25(31-2)26(16-22)35(28,29)27(18-24-7-4-12-32-24)17-21-5-3-6-23(15-21)33-13-10-20-11-14-34-19-20/h3,5-6,8-9,11,14-16,19,24H,4,7,10,12-13,17-18H2,1-2H3
• InChIKey: ZCFVKNQDZANZLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-3-yl)ethoxy]phenyl}methyl)benzene-1-sulfonamide
• IUPAC Traditional name: 2,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-3-yl)ethoxy]phenyl}methyl)benzenesulfonamide
• Synonyms: 2,5-dimethoxy-N-(tetrahydro-2-furanylmethyl)-N-{3-[2-(3-thienyl)ethoxy]benzyl}benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.4902534
• LogD (pH = 7.4): 4.4902534
• Log P: 4.4902534
• Molar Refractivity: 136.7396 cm^3
• Polarizability: 53.794743 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 5.16
• LOG S: -4.4
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 9