2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide

• ChemBase ID: 249110
• Molecular Formular: C10H14ClNO2S
• Molecular Mass: 247.74166
• Monoisotopic Mass: 247.04337737
• SMILES: C(=O)(N(Cc1sccc1)CCOC)CCl
• Canonical SMILES: COCCN(C(=O)CCl)Cc1cccs1
• InChI: InChI=1S/C10H14ClNO2S/c1-14-5-4-12(10(13)7-11)8-9-3-2-6-15-9/h2-3,6H,4-5,7-8H2,1H3
• InChIKey: GCQCGWDSIZOHCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06655614
• PubChem SID: 164305020
• PubChem CID: 4962180

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5447866
• LogD (pH = 7.4): 1.5447866
• Log P: 1.5447866
• Molar Refractivity: 61.5585 cm^3
• Polarizability: 23.832636 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.594

Product Information

• Purity: 95%