2-amino-N-[2-(thiophen-2-yl)ethyl]benzamide

• ChemBase ID: 279632
• Molecular Formular: C13H14N2OS
• Molecular Mass: 246.32806
• Monoisotopic Mass: 246.08268408
• SMILES: c1(C(=O)NCCc2sccc2)c(N)cccc1
• Canonical SMILES: O=C(c1ccccc1N)NCCc1cccs1
• InChI: InChI=1S/C13H14N2OS/c14-12-6-2-1-5-11(12)13(16)15-8-7-10-4-3-9-17-10/h1-6,9H,7-8,14H2,(H,15,16)
• InChIKey: GGWKXTOKKAXOFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[2-(thiophen-2-yl)ethyl]benzamide
• IUPAC Traditional name: 2-amino-N-[2-(thiophen-2-yl)ethyl]benzamide
• Synonyms: 2-amino-N-(2-thien-2-ylethyl)benzamide

Database IDs

• MDL Number: MFCD08444656
• PubChem SID: 164335542
• PubChem CID: 16228120

CALCULATED PROPERTIES

• Acid pKa: 15.408159
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7938058
• LogD (pH = 7.4): 2.7946413
• Log P: 2.794652
• Molar Refractivity: 71.1014 cm^3
• Polarizability: 26.229439 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.297

Product Information

• Purity: 95%