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

• ChemBase ID: 327895
• Molecular Formular: C24H29N3O4S
• Molecular Mass: 455.56976
• Monoisotopic Mass: 455.18787742
• SMILES: C1(=O)N(C(=O)CC1(CC(=O)NC(c1nc(cs1)C)C)c1ccc(cc1)OC)C1CCCC1
• Canonical SMILES: COc1ccc(cc1)C1(CC(=O)NC(c2scc(n2)C)C)CC(=O)N(C1=O)C1CCCC1
• InChI: InChI=1S/C24H29N3O4S/c1-15-14-32-22(25-15)16(2)26-20(28)12-24(17-8-10-19(31-3)11-9-17)13-21(29)27(23(24)30)18-6-4-5-7-18/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,26,28)
• InChIKey: MOLQKNDVIVJNQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.045589
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.357539
• LogD (pH = 7.4): 2.3576643
• Log P: 2.3576667
• Molar Refractivity: 120.4437 cm^3
• Polarizability: 46.98683 Å^3
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.48
• LOG S: -6.25
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 6