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

• ChemBase ID: 694863
• Molecular Formular: C16H23N3O3S
• Molecular Mass: 337.43712
• Monoisotopic Mass: 337.14601261
• SMILES: N1(C(=O)NC(=O)C1(C)C)CC(=O)N(Cc1cscc1)CCCC
• Canonical SMILES: CCCCN(C(=O)CN1C(=O)NC(=O)C1(C)C)Cc1cscc1
• InChI: InChI=1S/C16H23N3O3S/c1-4-5-7-18(9-12-6-8-23-11-12)13(20)10-19-15(22)17-14(21)16(19,2)3/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,17,21,22)
• InChIKey: WSNKOFHQPYEZDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC Traditional name: N-butyl-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
• Synonyms: N-butyl-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-(3-thienylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.144607
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7221829
• LogD (pH = 7.4): 1.7214203
• Log P: 1.7221926
• Molar Refractivity: 88.4422 cm^3
• Polarizability: 34.03842 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.72
• LOG S: -3.98
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 7