2-{3-isopropyloxy-5-[(N-methyl) 4-toluenesulfonylaminomethyl]benzoylamino}-5-pyridine carboxylic acid

HCID 58780929
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)N(C)Cc2cc(OC(C)C)cc(C(=O)Nc3ccc(C(=O)O)cn3)c2)cc1
InChIKey
YFPGJSQMBUCLNK-UHFFFAOYSA-N
Molecular formula
C25H27N3O6S
Average molar mass
497.6 g/mol

Names & identifiers

Preferred name
2-{3-isopropyloxy-5-[(N-methyl) 4-toluenesulfonylaminomethyl]benzoylamino}-5-pyridine carboxylic acid
IUPAC
6-[[3-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL5424157YFPGJSQMBUCLNK-UHFFFAOYSA-N2-{3-isopropyloxy-5-[(N-methyl) 4-toluenesulfonylaminomethyl]benzoylamino}-5-pyridine carboxylic acid

Database identifiers

PubChem CID
58780929

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
134 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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