2-amino-2-phenyl-N-(thiophen-2-ylmethyl)acetamide

• ChemBase ID: 242095
• Molecular Formular: C13H14N2OS
• Molecular Mass: 246.32806
• Monoisotopic Mass: 246.08268408
• SMILES: C(=O)(NCc1sccc1)C(c1ccccc1)N
• Canonical SMILES: O=C(C(c1ccccc1)N)NCc1cccs1
• InChI: InChI=1S/C13H14N2OS/c14-12(10-5-2-1-3-6-10)13(16)15-9-11-7-4-8-17-11/h1-8,12H,9,14H2,(H,15,16)
• InChIKey: YGHPXQSDZMRMFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-amino-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
• Synonyms: 2-amino-2-phenyl-N-(thiophen-2-ylmethyl)acetamide

Database IDs

• MDL Number: MFCD11650853
• PubChem SID: 164298005
• PubChem CID: 43173667

CALCULATED PROPERTIES

• Acid pKa: 13.984475
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.33354795
• LogD (pH = 7.4): 1.3412817
• Log P: 1.8430418
• Molar Refractivity: 68.5827 cm^3
• Polarizability: 26.824408 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.535

Product Information

• Purity: 95%