Basic information
- CAS
790682-83-6- Standard SMILES
CC(C)Oc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1- InChIKey
DGRZUJGNHACFSI-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4S
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.14567842
Names & identifiers
- Preferred name
- 4-propan-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
- IUPAC
- 4-propan-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
Names & synonyms
4-propan-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamideMLS002248234CHEMBL1730030DTXSID101332318HMS3086O22AKOS034127883790682-83-6SMR001315712AB00728677-01Z302255754-[(Propan-2-yl)oxy]-N-[3-(pyrrolidine-1-sulfonyl)phenyl]benzamide
Database identifiers
- CAS
790682-83-6- PubChem CID
- 4875100
- DTXSID
DTXSID101332318- ChEMBL
CHEMBL1730030
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 588
Experimental & physicochemical properties
Solubility8.5 [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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