4,5-Dimethoxy-2-[({4-[(methylanilino)sulfonyl]-2-thienyl}carbonyl)amino]benzoic acid
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Basic information
- CAS
724440-16-8- Standard SMILES
COc1cc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)c(C(=O)O)cc1OC- InChIKey
RBYXQMWFNALFIN-UHFFFAOYSA-N- Molecular formula
- C21H20N2O7S2
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.07119333
Names & identifiers
- Preferred name
- 4,5-Dimethoxy-2-[({4-[(methylanilino)sulfonyl]-2-thienyl}carbonyl)amino]benzoic acid
- IUPAC
- 4,5-dimethoxy-2-[[4-[methyl(phenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
- English name
- 4,5-dimethoxy-2-[({4-[(methylanilino)sulfonyl]-2-thienyl}carbonyl)amino]benzoic acid
- Molecular formula
- C21H20N2O7S2
- Molecular weight
- 476.5227
Names & synonyms
MLS0011472414,5-dimethoxy-2-[({4-[(methylanilino)sulfonyl]-2-thienyl}carbonyl)amino]benzoic acidSMR0006731424,5-dimethoxy-2-[[4-[methyl(phenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acidAP-866/42442370CHEMBL1301386BDBM96507cid_1819958HMS2976K10SR-01000802829SR-01000802829-24,5-dimethoxy-2-[[[4-[methyl(phenyl)sulfamoyl]-2-thiophenyl]-oxomethyl]amino]benzoic acid
Show more names
4,5-dimethoxy-2-[[4-[methyl(phenyl)sulfamoyl]thiophen-2-yl]carbonylamino]benzoic acid
Database identifiers
- CAS
724440-16-8- PubChem CID
- 1819958
- ChEMBL
CHEMBL1301386
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 767
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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