Basic information
- CAS
764705-21-7- Standard SMILES
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1C- InChIKey
PUWCJICFMHXYCR-UHFFFAOYSA-N- Molecular formula
- C19H23N3O4S
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.1409274
Names & identifiers
- Preferred name
- 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
- IUPAC
- 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
Names & synonyms
4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamideMLS002248367CHEMBL1736463SCHEMBL23846400DTXSID501332308HMS3082F07AKOS034127872NCGC00253789-01764705-21-7SMR0013158414-acetyl-3,5-dimethyl-N-[3-(pyrrolidine-1-sulfonyl)phenyl]-1H-pyrrole-2-carboxamide
Database identifiers
- CAS
764705-21-7- PubChem CID
- 3989004
- DTXSID
DTXSID501332308- ChEMBL
CHEMBL1736463
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 669
Experimental & physicochemical properties
Solubility7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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