2-[4-(dimethylsulfamoyl)morpholin-3-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide

• ChemBase编号: 866305
• 分子式: C15H25N3O5S
• 平均质量: 359.4411
• 单一同位素质量: 359.15149192
• SMILES: S(=O)(=O)(N1C(CC(=O)NCCc2oc(cc2)C)COCC1)N(C)C
• Canonical SMILES: O=C(CC1COCCN1S(=O)(=O)N(C)C)NCCc1ccc(o1)C
• InChI: InChI=1S/C15H25N3O5S/c1-12-4-5-14(23-12)6-7-16-15(19)10-13-11-22-9-8-18(13)24(20,21)17(2)3/h4-5,13H,6-11H2,1-3H3,(H,16,19)
• InChIKey: PXRMQQDQBZTNSB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[4-(dimethylsulfamoyl)morpholin-3-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
• IUPAC传统名: 2-[4-(dimethylsulfamoyl)morpholin-3-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
• 别名: 2-{4-[(dimethylamino)sulfonyl]-3-morpholinyl}-N-[2-(5-methyl-2-furyl)ethyl]acetamide

理论计算性质

JChem

• Acid pKa: 15.087198
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -1.0793641
• LogD (pH = 7.4): -1.0793628
• Log P: -1.0793628
• 摩尔折射率: 89.6946 cm^3
• 极化性: 35.49491 Å^3
• 极化表面积: 92.09 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: 5
• 质子供体: 1
• Log P: -1.26
• LOG S: -2.06
• 极化表面积: 92.09 Å^2
• 可自由旋转的化学键: 5