2-[4-(dimethylsulfamoyl)morpholin-3-yl]-N-(2-phenoxyethyl)acetamide

• ChemBase编号: 678627
• 分子式: C16H25N3O5S
• 平均质量: 371.4518
• 单一同位素质量: 371.15149192
• SMILES: S(=O)(=O)(N1C(CC(=O)NCCOc2ccccc2)COCC1)N(C)C
• Canonical SMILES: O=C(CC1COCCN1S(=O)(=O)N(C)C)NCCOc1ccccc1
• InChI: InChI=1S/C16H25N3O5S/c1-18(2)25(21,22)19-9-11-23-13-14(19)12-16(20)17-8-10-24-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,17,20)
• InChIKey: IHSZJSCQTVVCDS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[4-(dimethylsulfamoyl)morpholin-3-yl]-N-(2-phenoxyethyl)acetamide
• IUPAC传统名: 2-[4-(dimethylsulfamoyl)morpholin-3-yl]-N-(2-phenoxyethyl)acetamide
• 别名: 2-{4-[(dimethylamino)sulfonyl]-3-morpholinyl}-N-(2-phenoxyethyl)acetamide

理论计算性质

JChem

• Acid pKa: 15.234672
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): -0.47955525
• LogD (pH = 7.4): -0.47955397
• Log P: -0.47955394
• 摩尔折射率: 93.2282 cm^3
• 极化性: 37.50223 Å^3
• 极化表面积: 88.18 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: -1.14
• LOG S: -2.25
• 极化表面积: 88.18 Å^2
• 可自由旋转的化学键: 6