N-[(3-Chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)-2-propenamide
Basic information
- CAS
587006-13-1- Standard SMILES
COc1ccc(C=CC(=O)N(Cc2cccc(Cl)c2)C2CCS(=O)(=O)C2)cc1- InChIKey
UCTIGZCRCMRPEM-UHFFFAOYSA-N- Molecular formula
- C21H22ClNO4S
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.0958071
Names & identifiers
- Preferred name
- N-[(3-Chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)-2-propenamide
- IUPAC
- N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
Names & synonyms
587006-13-1DTXSID8011159632-Propenamide, N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)-N-[(3-Chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)-2-propenamideN-[(3-Chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
Database identifiers
- CAS
587006-13-1- PubChem CID
- 3753374
- DTXSID
DTXSID801115963
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 652
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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