Basic information
- CAS
790273-85-7- Standard SMILES
Cc1ccc(NC(=O)CC(C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1- InChIKey
FVLZFUSVGKLJNS-UHFFFAOYSA-N- Molecular formula
- C21H26N2O4S
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.16132849
Names & identifiers
- Preferred name
- N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
- IUPAC
- N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
Names & synonyms
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamideMLS002248312CHEMBL1729677DTXSID901332774HMS3095M20AKOS033965756790273-85-7SMR001315787Z26475079N-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-3-phenylbutanamide
Database identifiers
- CAS
790273-85-7- PubChem CID
- 4874871
- DTXSID
DTXSID901332774- ChEMBL
CHEMBL1729677
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 606
Experimental & physicochemical properties
Solubility47.5 [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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