Basic information
- CAS
651018-04-1- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)cccc3C)cc2)no1- InChIKey
LJVIWFLORQMICB-UHFFFAOYSA-N- Molecular formula
- C20H21N3O5S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.12019195
Names & identifiers
- Preferred name
- 2-(2,6-dimethylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
- IUPAC
- 2-(2,6-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
- English name
- 2-(2,6-dimethylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
- Molecular formula
- C20H21N3O5S
- Molecular weight
- 415.46
Names & synonyms
CHEMBL56249222-(2,6-dimethylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide2-(2,6-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide2-(2,6-dimethylphenoxy)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamideSTK121017AKOS000496197AN-329/42085897SR-01000366028SR-01000366028-1Acetamide, 2-(2,6-dimethylphenoxy)-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-
Database identifiers
- CAS
651018-04-1- PubChem CID
- 1015535
- ChEMBL
CHEMBL5624922
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 635
Physicochemical properties
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- pka
- 5.58 · 5.58±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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