N-(2-aminophenyl)thiophene-2-carboxamide

• ChemBase ID: 267653
• Molecular Formular: C11H10N2OS
• Molecular Mass: 218.2749
• Monoisotopic Mass: 218.05138395
• SMILES: C(=O)(Nc1c(N)cccc1)c1sccc1
• Canonical SMILES: O=C(c1cccs1)Nc1ccccc1N
• InChI: InChI=1S/C11H10N2OS/c12-8-4-1-2-5-9(8)13-11(14)10-6-3-7-15-10/h1-7H,12H2,(H,13,14)
• InChIKey: DQBPJCMRKXOYFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)thiophene-2-carboxamide
• IUPAC Traditional name: N-(2-aminophenyl)thiophene-2-carboxamide
• Synonyms: N-(2-aminophenyl)thiophene-2-carboxamide

Database IDs

• MDL Number: MFCD03898669
• PubChem SID: 164323563
• PubChem CID: 1134199

CALCULATED PROPERTIES

• Acid pKa: 11.02697
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1471753
• LogD (pH = 7.4): 2.1489642
• Log P: 2.149086
• Molar Refractivity: 63.1818 cm^3
• Polarizability: 22.751635 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112°C
• Hydrophobicity(logP): 1.261

Product Information

• Purity: 95%