cis-2-[4-(3-Cyanobenzenesulphonyl)-3,5-dimethylpiperazin-1-yl]-n-(5-cyano-2-methylphenyl)acetamide
Basic information
- Standard SMILES
Cc1ccc(C#N)cc1NC(=O)CN1C[C@@H](C)N(S(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1- InChIKey
FFHJZGMGUJQGON-HDICACEKSA-N- Molecular formula
- C23H25N5O3S
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.16781085
Names & identifiers
- Preferred name
- cis-2-[4-(3-Cyanobenzenesulphonyl)-3,5-dimethylpiperazin-1-yl]-n-(5-cyano-2-methylphenyl)acetamide
- IUPAC
- N-(5-cyano-2-methylphenyl)-2-[(3S,5R)-4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]acetamide
Names & synonyms
SCHEMBL6337107FFHJZGMGUJQGON-HDICACEKSA-Ncis-2-[4-(3-cyanobenzenesulphonyl)-3,5-dimethylpiperazin-1-yl]-n-(5-cyano-2-methylphenyl)acetamide
Database identifiers
- PubChem CID
- 69745774
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 870
Related reactions
1 records
Compound notes
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