N-(thiophen-2-ylmethyl)acetamide

• ChemBase ID: 254872
• Molecular Formular: C7H9NOS
• Molecular Mass: 155.21746
• Monoisotopic Mass: 155.04048491
• SMILES: s1c(ccc1)CNC(=O)C
• Canonical SMILES: CC(=O)NCc1cccs1
• InChI: InChI=1S/C7H9NOS/c1-6(9)8-5-7-3-2-4-10-7/h2-4H,5H2,1H3,(H,8,9)
• InChIKey: BQRIKSCISYLMQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01743587
• PubChem SID: 164310782
• PubChem CID: 30617

CALCULATED PROPERTIES

• Acid pKa: 15.433516
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8307422
• LogD (pH = 7.4): 0.83074224
• Log P: 0.83074224
• Molar Refractivity: 40.8651 cm^3
• Polarizability: 15.7290945 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.596

Product Information

• Purity: 95%