2-(2-isopropylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
Basic information
- CAS
606923-53-9- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1- InChIKey
VOUXUXNAQVPMKR-UHFFFAOYSA-N- Molecular formula
- C21H23N3O5S
- Average molar mass
- 429.5 g/mol
Names & identifiers
- Preferred name
- 2-(2-isopropylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
- IUPAC
- N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
- English name
- Acetamide, 2-[2-(1-methylethyl)phenoxy]-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]- (9CI)
- Molecular formula
- C21H23N3O5S
- Molecular weight
- 429.49
Names & synonyms
606923-53-92-(2-isopropylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamideMLS000114755N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamideSMR000092083Acetamide, 2-[2-(1-methylethyl)phenoxy]-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]- (9CI)N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}-2-[2-(propan-2-yl)phenoxy]acetamideMLS000878176CHEMBL1308367BDBM40915cid_1015460HMS2256O22
Show more names
Acetamide, 2-[2-(1-methylethyl)phenoxy]-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-
STK120469AKOS0004947722-(2-isopropylphenoxy)-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)acetamideDB-284612VU0152829-5AN-329/41942554F3145-43622-(2-isopropylphenoxy)-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]acetamide
Database identifiers
- CAS
606923-53-9- ChEMBL
CHEMBL1308367
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 658
Physicochemical properties
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 5.58 · 5.58±0.50(Predicted)
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Compound notes
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