2-chloro-N-[(4-methoxyphenyl)methyl]-N-[1-(thiophen-2-yl)propan-2-yl]acetamide

• ChemBase ID: 251524
• Molecular Formular: C17H20ClNO2S
• Molecular Mass: 337.8642
• Monoisotopic Mass: 337.09032757
• SMILES: N(C(=O)CCl)(C(Cc1sccc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: ClCC(=O)N(C(Cc1cccs1)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C17H20ClNO2S/c1-13(10-16-4-3-9-22-16)19(17(20)11-18)12-14-5-7-15(21-2)8-6-14/h3-9,13H,10-12H2,1-2H3
• InChIKey: WAUIOTOQYQHPMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[(4-methoxyphenyl)methyl]-N-[1-(thiophen-2-yl)propan-2-yl]acetamide
• IUPAC Traditional name: 2-chloro-N-[(4-methoxyphenyl)methyl]-N-[1-(thiophen-2-yl)propan-2-yl]acetamide
• Synonyms: 2-chloro-N-(4-methoxybenzyl)-N-(1-methyl-2-thien-2-ylethyl)acetamide

Database IDs

• MDL Number: MFCD08261041
• PubChem SID: 164307434
• PubChem CID: 16226886

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8638003
• LogD (pH = 7.4): 3.8638003
• Log P: 3.8638003
• Molar Refractivity: 90.875 cm^3
• Polarizability: 35.177315 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.55

Product Information

• Purity: 95%