Basic information
- CAS
1003011-61-7- Standard SMILES
CCS(=O)(=O)n1ccc(NC(=O)[C@H](CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1- InChIKey
FCUNCJIYWZOHDA-MRXNPFEDSA-N- Molecular formula
- C20H26ClN3O5S2
- Average molar mass
- 488 g/mol
- Monoisotopic mass
- 487.100241
Names & identifiers
- Preferred name
- 2(R)-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-(1-ethanesulfonyl-1H-pyrazol-3-yl)-propionamide
- IUPAC
- (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-ethylsulfonylpyrazol-3-yl)propanamide
Names & synonyms
SCHEMBL1863205FCUNCJIYWZOHDA-MRXNPFEDSA-NDTXSID301109088(I+/-R)-3-Chloro-I+/--(cyclopentylmethyl)-N-[1-(ethylsulfonyl)-1H-pyrazol-3-yl]-4-(methylsulfonyl)benzeneacetamide1003011-61-72(R)-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-(1-ethanesulfonyl-1H-pyrazol-3-yl)-propionamide
Database identifiers
- CAS
1003011-61-7- PubChem CID
- 67190883
- DTXSID
DTXSID301109088
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 834
Related reactions
1 records
Compound notes
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