2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide

• ChemBase ID: 26279
• Molecular Formular: C11H9ClN2OS
• Molecular Mass: 252.71996
• Monoisotopic Mass: 252.0124116
• SMILES: c1(c(csc1N)c1ccc(cc1)Cl)C(=O)N
• Canonical SMILES: Clc1ccc(cc1)c1csc(c1C(=O)N)N
• InChI: InChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)8-5-16-11(14)9(8)10(13)15/h1-5H,14H2,(H2,13,15)
• InChIKey: LCFOOVGQEWZAJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide
• IUPAC Traditional name: 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide
• Synonyms: 2-Amino-4-(4-chlorophenyl)thiophene-3-carboxamide

Database IDs

• MDL Number: MFCD01924173
• PubChem SID: 160989586
• PubChem CID: 741568

CALCULATED PROPERTIES

• Acid pKa: 15.516411
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.842668
• LogD (pH = 7.4): 2.842668
• Log P: 2.842668
• Molar Refractivity: 66.0435 cm^3
• Polarizability: 25.771706 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false