N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-(pyrrolidin-2-yl)thiophene-2-carboxamide

• ChemBase ID: 844642
• Molecular Formular: C18H19N3O3S
• Molecular Mass: 357.42676
• Monoisotopic Mass: 357.11471248
• SMILES: N1(C(=O)OCC1)c1c(NC(=O)c2sc(cc2)C2NCCC2)cccc1
• Canonical SMILES: O=C1OCCN1c1ccccc1NC(=O)c1ccc(s1)C1CCCN1
• InChI: InChI=1S/C18H19N3O3S/c22-17(16-8-7-15(25-16)13-5-3-9-19-13)20-12-4-1-2-6-14(12)21-10-11-24-18(21)23/h1-2,4,6-8,13,19H,3,5,9-11H2,(H,20,22)
• InChIKey: QUTJPPOQKATWSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-(pyrrolidin-2-yl)thiophene-2-carboxamide
• IUPAC Traditional name: N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-(pyrrolidin-2-yl)thiophene-2-carboxamide
• Synonyms: N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-(2-pyrrolidinyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.448923
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.46928838
• LogD (pH = 7.4): 0.7170211
• Log P: 2.6839075
• Molar Refractivity: 96.3582 cm^3
• Polarizability: 36.487225 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.58
• LOG S: -3.16
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4