N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide

• ChemBase编号: 606036
• 分子式: C19H24N2O3S
• 平均质量: 360.47046
• 单一同位素质量: 360.15076364
• SMILES: c1(sc(cc1)C1OCCC1)C(=O)N(Cc1c(c(c(cn1)C)OC)C)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN(C(=O)c1ccc(s1)C1CCCO1)C
• InChI: InChI=1S/C19H24N2O3S/c1-12-10-20-14(13(2)18(12)23-4)11-21(3)19(22)17-8-7-16(25-17)15-6-5-9-24-15/h7-8,10,15H,5-6,9,11H2,1-4H3
• InChIKey: YWELMPQGXPXJFQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
• IUPAC传统名: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
• 别名: N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrahydro-2-furanyl)-2-thiophenecarboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.1647747
• LogD (pH = 7.4): 3.0584683
• Log P: 3.1153443
• 摩尔折射率: 98.8612 cm^3
• 极化性: 37.60577 Å^3
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.19
• LOG S: -3.7
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 5