N-(2-methoxyethyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

• ChemBase ID: 858042
• Molecular Formular: C15H22N2O3S
• Molecular Mass: 310.41178
• Monoisotopic Mass: 310.13511357
• SMILES: N1(CC(=O)N(Cc2sccc2)CCOC)C(=O)CCC1C
• Canonical SMILES: COCCN(C(=O)CN1C(C)CCC1=O)Cc1cccs1
• InChI: InChI=1S/C15H22N2O3S/c1-12-5-6-14(18)17(12)11-15(19)16(7-8-20-2)10-13-4-3-9-21-13/h3-4,9,12H,5-8,10-11H2,1-2H3
• InChIKey: DMASTGCEKDVQAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
• Synonyms: N-(2-methoxyethyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-(2-thienylmethyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 1.14
• LOG S: -2.44
• Polar Surface Area: 49.85 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 19.389404
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7694136
• LogD (pH = 7.4): 0.7694136
• Log P: 0.7694136
• Molar Refractivity: 81.8196 cm^3
• Polarizability: 31.665537 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7