4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide

• ChemBase ID: 485105
• Molecular Formular: C17H17N3O3S
• Molecular Mass: 343.40018
• Monoisotopic Mass: 343.09906242
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCc2c(ccs2)C)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCCc1sccc1C
• InChI: InChI=1S/C17H17N3O3S/c1-11-7-9-24-14(11)6-8-18-16(22)12-2-4-13(5-3-12)20-10-15(21)19-17(20)23/h2-5,7,9H,6,8,10H2,1H3,(H,18,22)(H,19,21,23)
• InChIKey: FFNCWLVBNXXHFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[2-(3-methyl-2-thienyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9450502
• LogD (pH = 7.4): 1.9359716
• Log P: 1.9451675
• Molar Refractivity: 91.1046 cm^3
• Polarizability: 34.10728 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.4
• LOG S: -2.9
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 5