cis-2-[4-(2-Methanesulphonylbenzenesulphonyl)-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)c2ccccc2S(C)(=O)=O)[C@@H](C)C1- InChIKey
YUHMUEDVIRAMPH-IYBDPMFKSA-N- Molecular formula
- C22H28FN3O5S2
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- cis-2-[4-(2-Methanesulphonylbenzenesulphonyl)-3,5-dimethylpiperazin-1-yl]-N-(3 fluoro-2-methylphenyl)acetamide
- IUPAC
- 2-[(3R,5S)-3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
Names & synonyms
SCHEMBL6343130YUHMUEDVIRAMPH-IYBDPMFKSA-Ncis-2-[4-(2-Methanesulphonylbenzenesulphonyl)-3,5-dimethylpiperazin-1-yl]-N-(3 fluoro-2-methylphenyl)acetamidecis-2-[4-(2-methanesulphonylbenzenesulphonyl)-3,5-dimethylpiperazin-1-yl]-n-(3-fluoro-2-methylphenyl)acetamide
Database identifiers
- PubChem CID
- 60045643
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 890
Related reactions
1 records
Compound notes
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