2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

• ChemBase ID: 339612
• Molecular Formular: C24H28N2O4S
• Molecular Mass: 440.55512
• Monoisotopic Mass: 440.17697839
• SMILES: C1(=O)C(CC(=O)N1C1CCCC1)(CC(=O)N(Cc1cscc1)C)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1(CC(=O)N(Cc2cscc2)C)CC(=O)N(C1=O)C1CCCC1
• InChI: InChI=1S/C24H28N2O4S/c1-25(15-17-11-12-31-16-17)21(27)13-24(18-7-9-20(30-2)10-8-18)14-22(28)26(23(24)29)19-5-3-4-6-19/h7-12,16,19H,3-6,13-15H2,1-2H3
• InChIKey: BMWBALQXKBEAJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
• IUPAC Traditional name: 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
• Synonyms: 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-methyl-N-(3-thienylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.578045
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.929691
• LogD (pH = 7.4): 2.929691
• Log P: 2.929691
• Molar Refractivity: 118.8254 cm^3
• Polarizability: 46.082104 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.16
• LOG S: -5.03
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 6