Cis-2-(4-(3-Cyanobenzenesulphonyl)-3,5-dimethylpiperazin-1-yl)-N-(3-fluoro-2-methylphenyl)acetamide
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Basic information
- Standard SMILES
Cc1c(F)cccc1NC(=O)CN1C[C@@H](C)N(S(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1- InChIKey
DDLMAIOCNSAVDI-IYBDPMFKSA-N- Molecular formula
- C22H25FN4O3S
- Average molar mass
- 444.5 g/mol
Names & identifiers
- Preferred name
- Cis-2-(4-(3-Cyanobenzenesulphonyl)-3,5-dimethylpiperazin-1-yl)-N-(3-fluoro-2-methylphenyl)acetamide
- IUPAC
- 2-[(3R,5S)-4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
Names & synonyms
SCHEMBL6334477DDLMAIOCNSAVDI-IYBDPMFKSA-NCis-2-(4-(3-Cyanobenzenesulphonyl)-3,5-dimethylpiperazin-1-yl)-N-(3-fluoro-2-methylphenyl)acetamide
Database identifiers
- PubChem CID
- 69745121
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 780
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Related reactions
1 records
Compound notes
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