Basic information
- Standard SMILES
COc1ccc(SCCNC(C)=O)cc1- InChIKey
YWCIUAZHSNNFTC-UHFFFAOYSA-N- Molecular formula
- C11H15NO2S
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.08234989
Names & identifiers
- Preferred name
- N-(2-(4-methoxyphenylthio)ethyl)acetamide
- IUPAC
- N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide
Names & synonyms
CHEMBL1223126SCHEMBL3400130YWCIUAZHSNNFTC-UHFFFAOYSA-NBDBM50416682N-(2-(4-methoxyphenylthio)ethyl)acetamide
Database identifiers
- PubChem CID
- 49865266
- ChEMBL
CHEMBL1223126
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Related reactions
2 records
Compound notes
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