Basic information
- CAS
428497-72-7- Standard SMILES
Cc1ccc(CSCC(=O)NCc2ccccc2C)cc1- InChIKey
PFOUWIQGJCVRKY-UHFFFAOYSA-N- Molecular formula
- C18H21NOS
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.13438547
Names & identifiers
- Preferred name
- N-(2-methylbenzyl)-2-[(4-methylbenzyl)sulfanyl]acetamide
- IUPAC
- N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
Names & synonyms
428497-72-7N-[(2-Methylphenyl)methyl]-2-[[(4-methylphenyl)methyl]thio]acetamideN-(2-methylbenzyl)-2-[(4-methylbenzyl)sulfanyl]acetamideDTXSID001160702STL123813AKOS000387277N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamideSR-01000235736SR-01000235736-1N-(2-methylbenzyl)-2-[(4-methylbenzyl)thio]acetamideN-[(2-METHYLPHENYL)METHYL]-2-{[(4-METHYLPHENYL)METHYL]SULFANYL}ACETAMIDE
Database identifiers
- CAS
428497-72-7- PubChem CID
- 883231
- DTXSID
DTXSID001160702
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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