N-ethyl-3-[(2-methoxyethyl)(methyl)sulfamoyl]-N-(oxan-4-yl)benzamide

• ChemBase编号: 316578
• 分子式: C18H28N2O5S
• 平均质量: 384.49032
• 单一同位素质量: 384.17189301
• SMILES: S(=O)(=O)(c1cc(C(=O)N(C2CCOCC2)CC)ccc1)N(CCOC)C
• Canonical SMILES: COCCN(S(=O)(=O)c1cccc(c1)C(=O)N(C1CCOCC1)CC)C
• InChI: InChI=1S/C18H28N2O5S/c1-4-20(16-8-11-25-12-9-16)18(21)15-6-5-7-17(14-15)26(22,23)19(2)10-13-24-3/h5-7,14,16H,4,8-13H2,1-3H3
• InChIKey: HCHRQGZYVMXGQL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-3-[(2-methoxyethyl)(methyl)sulfamoyl]-N-(oxan-4-yl)benzamide
• IUPAC传统名: N-ethyl-3-[(2-methoxyethyl)(methyl)sulfamoyl]-N-(oxan-4-yl)benzamide
• 别名: N-ethyl-3-{[(2-methoxyethyl)(methyl)amino]sulfonyl}-N-(tetrahydro-2H-pyran-4-yl)benzamide

理论计算性质

JChem

• 里宾斯基五规则: true
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.5956395
• LogD (pH = 7.4): 0.5956397
• Log P: 0.5956397
• 摩尔折射率: 101.1487 cm^3
• 极化性: 39.401863 Å^3
• 极化表面积: 76.15 Å^2
• 可自由旋转的化学键: 7

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.9
• LOG S: -2.77
• 极化表面积: 76.15 Å^2
• 可自由旋转的化学键: 7