N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

• ChemBase编号: 491409
• 分子式: C24H26FNO4S2
• 平均质量: 475.5959432
• 单一同位素质量: 475.12872854
• SMILES: S(=O)(=O)(N(CC1OCCC1)Cc1cc(OCCc2c(F)cccc2)ccc1)c1sccc1
• Canonical SMILES: Fc1ccccc1CCOc1cccc(c1)CN(S(=O)(=O)c1cccs1)CC1CCCO1
• InChI: InChI=1S/C24H26FNO4S2/c25-23-10-2-1-7-20(23)12-14-30-21-8-3-6-19(16-21)17-26(18-22-9-4-13-29-22)32(27,28)24-11-5-15-31-24/h1-3,5-8,10-11,15-16,22H,4,9,12-14,17-18H2
• InChIKey: GHLCHGQXCWWCHY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
• IUPAC传统名: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
• 别名: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)-2-thiophenesulfonamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.1142936
• LogD (pH = 7.4): 5.1142936
• Log P: 5.1142936
• 摩尔折射率: 123.1895 cm^3
• 极化性: 48.460747 Å^3
• 极化表面积: 55.84 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 5.64
• LOG S: -5.12
• 极化表面积: 55.84 Å^2
• 可自由旋转的化学键: 9