Basic information
- CAS
428448-03-7- Standard SMILES
CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1- InChIKey
ZNRCZNDKXUBPID-UHFFFAOYSA-N- Molecular formula
- C24H24N2O6S
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- 2-[({2-Ethoxy[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]benzoic acid
- IUPAC
- 2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid
- English name
- 2-[({2-ethoxy[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]benzoic acid
- Molecular formula
- C24H24N2O6S
- Molecular weight
- 468.52216
Names & synonyms
2-[({2-ethoxy[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]benzoic acidAN-989/42064471CHEMBL3356860STL3842852-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acidAKOS0023434352-(2-(N-(2-ethoxyphenyl)-4-methylphenylsulfonamido)acetamido)benzoic acid2-({N-(2-ethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)benzoic acid428448-03-7
Database identifiers
- CAS
428448-03-7- ChEMBL
CHEMBL3356860
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 759
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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