N-(2-aminophenyl)-2-(thiophen-2-yl)acetamide

• ChemBase ID: 271780
• Molecular Formular: C12H12N2OS
• Molecular Mass: 232.30148
• Monoisotopic Mass: 232.06703401
• SMILES: C(=O)(Nc1c(N)cccc1)Cc1sccc1
• Canonical SMILES: O=C(Nc1ccccc1N)Cc1cccs1
• InChI: InChI=1S/C12H12N2OS/c13-10-5-1-2-6-11(10)14-12(15)8-9-4-3-7-16-9/h1-7H,8,13H2,(H,14,15)
• InChIKey: WEODBNBBRRDLDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)-2-(thiophen-2-yl)acetamide
• IUPAC Traditional name: N-(2-aminophenyl)-2-(thiophen-2-yl)acetamide
• Synonyms: N-(2-aminophenyl)-2-(thiophen-2-yl)acetamide

Database IDs

• MDL Number: MFCD09729821
• PubChem SID: 164327690
• PubChem CID: 16783120

CALCULATED PROPERTIES

• Acid pKa: 13.759108
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1263032
• LogD (pH = 7.4): 2.129214
• Log P: 2.1292515
• Molar Refractivity: 67.2332 cm^3
• Polarizability: 24.593857 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C
• Hydrophobicity(logP): 1.118

Product Information

• Purity: 95%