Basic information
- CAS
746617-44-7- Standard SMILES
Cc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1S(=O)(=O)N1CCOCC1- InChIKey
VYCWCTZNPBMJFW-UHFFFAOYSA-N- Molecular formula
- C22H34N2O4S
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.22392874
Names & identifiers
- Preferred name
- 4-tert-butyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide
- IUPAC
- 4-tert-butyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide
Names & synonyms
4-tert-butyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamideMLS002252776CHEMBL1717484DTXSID201332759HMS3082I08AKOS033965841746617-44-7SMR001315112AB00724275-01Z264767464-tert-butyl-N-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]cyclohexane-1-carboxamide
Database identifiers
- CAS
746617-44-7- PubChem CID
- 4032030
- DTXSID
DTXSID201332759- ChEMBL
CHEMBL1717484
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 653
Experimental & physicochemical properties
Solubility3.5 [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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