3-amino-3-phenyl-N-[1-(thiophen-2-yl)propan-2-yl]propanamide hydrochloride

• ChemBase ID: 242894
• Molecular Formular: C16H21ClN2OS
• Molecular Mass: 324.86874
• Monoisotopic Mass: 324.10631198
• SMILES: C(=O)(CC(c1ccccc1)N)NC(Cc1sccc1)C.Cl
• Canonical SMILES: CC(Cc1cccs1)NC(=O)CC(c1ccccc1)N.Cl
• InChI: InChI=1S/C16H20N2OS.ClH/c1-12(10-14-8-5-9-20-14)18-16(19)11-15(17)13-6-3-2-4-7-13;/h2-9,12,15H,10-11,17H2,1H3,(H,18,19);1H
• InChIKey: ANUVZWFODCKSCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-phenyl-N-[1-(thiophen-2-yl)propan-2-yl]propanamide hydrochloride
• IUPAC Traditional name: 3-amino-3-phenyl-N-[1-(thiophen-2-yl)propan-2-yl]propanamide hydrochloride
• Synonyms: 3-amino-3-phenyl-N-[1-(thiophen-2-yl)propan-2-yl]propanamide hydrochloride

Database IDs

• MDL Number: MFCD22578539
• PubChem SID: 164298804
• PubChem CID: 71757107

CALCULATED PROPERTIES

• Acid pKa: 15.749753
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.1645746
• LogD (pH = 7.4): 1.3428707
• Log P: 2.6331015
• Molar Refractivity: 82.4912 cm^3
• Polarizability: 32.35317 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.21

Product Information

• Purity: 95%