N-[2-(2-ethoxyphenoxy)ethyl]-4-ethyl-N,5-dimethylthiophene-3-carboxamide

• ChemBase编号: 532544
• 分子式: C19H25NO3S
• 平均质量: 347.4717
• 单一同位素质量: 347.15551467
• SMILES: c1(C(=O)N(CCOc2c(OCC)cccc2)C)c(c(sc1)C)CC
• Canonical SMILES: CCOc1ccccc1OCCN(C(=O)c1csc(c1CC)C)C
• InChI: InChI=1S/C19H25NO3S/c1-5-15-14(3)24-13-16(15)19(21)20(4)11-12-23-18-10-8-7-9-17(18)22-6-2/h7-10,13H,5-6,11-12H2,1-4H3
• InChIKey: KRANLVHIGGZPNE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(2-ethoxyphenoxy)ethyl]-4-ethyl-N,5-dimethylthiophene-3-carboxamide
• IUPAC传统名: N-[2-(2-ethoxyphenoxy)ethyl]-4-ethyl-N,5-dimethylthiophene-3-carboxamide
• 别名: N-[2-(2-ethoxyphenoxy)ethyl]-4-ethyl-N,5-dimethylthiophene-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.4987173
• LogD (pH = 7.4): 4.4987173
• Log P: 4.4987173
• 摩尔折射率: 98.4981 cm^3
• 极化性: 37.344414 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 4.39
• LOG S: -5.48
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 8