Basic information
- Standard SMILES
CS(=O)(=O)NC(=O)N[C@H]1CCN(c2ccc3c(NC(=O)CC4CCCCC4)c(Cl)ccc3n2)C1- InChIKey
WJTRVFGZKUYWNY-INIZCTEOSA-N- Molecular formula
- C23H30ClN5O4S
- Average molar mass
- 508 g/mol
Names & identifiers
- Preferred name
- N-[6-Chloro-2-[(3S)-3-[[[(methylsulfonyl)amino]carbonyl]amino]-1-pyrrolidinyl]-5-quinolinyl]-cyclohexaneacetamide
- IUPAC
- N-[6-chloro-2-[(3S)-3-(methylsulfonylcarbamoylamino)pyrrolidin-1-yl]quinolin-5-yl]-2-cyclohexylacetamide
Names & synonyms
SCHEMBL1806366WJTRVFGZKUYWNY-INIZCTEOSA-NN-[6-Chloro-2-[(3S)-3-[[[(methylsulfonyl)amino]carbonyl]amino]-1-pyrrolidinyl]-5-quinolinyl]-cyclohexaneacetamide
Database identifiers
- PubChem CID
- 59768640
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 832
Related reactions
1 records
Compound notes
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