N-cyclopropyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide
Basic information
- CAS
303988-14-9- Standard SMILES
Cc1ccc(Sc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1- InChIKey
GAFPDOQWSMWQST-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.08816355
Names & identifiers
- Preferred name
- N-cyclopropyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide
- IUPAC
- N-cyclopropyl-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide
Names & synonyms
303988-14-9N-cyclopropyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamideN-cyclopropyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamideN-cyclopropyl-4-(4-methylphenyl)sulfanyl-3-nitrobenzamideOprea1_838712DTXSID301205842MFCD01569096AKOS00507868811N-659SN-cyclopropyl-3-nitro-4-(p-tolylthio)benzamideN-cyclopropyl-3-nitro-4-(p-tolylsulfanyl)benzamideN-Cyclopropyl-4-[(4-methylphenyl)thio]-3-nitrobenzamide
Database identifiers
- CAS
303988-14-9- PubChem CID
- 1475005
- DTXSID
DTXSID301205842
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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