N-cyclopentyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase编号: 523356
• 分子式: C17H23N3O3S
• 平均质量: 349.44782
• 单一同位素质量: 349.14601261
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1cscc1)C1CCCC1)C)C
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cscc1)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C17H23N3O3S/c1-18-14(16(22)19(2)17(18)23)9-15(21)20(13-5-3-4-6-13)10-12-7-8-24-11-12/h7-8,11,13-14H,3-6,9-10H2,1-2H3
• InChIKey: YCUXHQLNISFILS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC传统名: N-cyclopentyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(thiophen-3-ylmethyl)acetamide
• 别名: N-cyclopentyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(3-thienylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.1715765
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.4241103
• LogD (pH = 7.4): 1.4241104
• Log P: 1.4241104
• 摩尔折射率: 91.116 cm^3
• 极化性: 35.15464 Å^3
• 极化表面积: 60.93 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: 3
• 质子供体: 0
• Log P: 0.66
• LOG S: -2.31
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 5