2-chloro-N-(prop-2-en-1-yl)-N-(thiophen-2-ylmethyl)propanamide

• ChemBase ID: 253926
• Molecular Formular: C11H14ClNOS
• Molecular Mass: 243.75296
• Monoisotopic Mass: 243.04846275
• SMILES: C(=O)(N(Cc1sccc1)CC=C)C(Cl)C
• Canonical SMILES: C=CCN(C(=O)C(Cl)C)Cc1cccs1
• InChI: InChI=1S/C11H14ClNOS/c1-3-6-13(11(14)9(2)12)8-10-5-4-7-15-10/h3-5,7,9H,1,6,8H2,2H3
• InChIKey: IMXRYFAWSYWFNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(prop-2-en-1-yl)-N-(thiophen-2-ylmethyl)propanamide
• IUPAC Traditional name: 2-chloro-N-(prop-2-en-1-yl)-N-(thiophen-2-ylmethyl)propanamide
• Synonyms: 2-chloro-N-(prop-2-en-1-yl)-N-(thiophen-2-ylmethyl)propanamide

Database IDs

• MDL Number: MFCD17480343
• PubChem SID: 164309836
• PubChem CID: 50987501

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.891776
• LogD (pH = 7.4): 2.891776
• Log P: 2.891776
• Molar Refractivity: 64.1716 cm^3
• Polarizability: 24.681398 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.528

Product Information

• Purity: 95%