2-{5-Methoxy-2-[3-oxo-3-(4-aminosulfonyl-phenyl)-E-propenyl]-4-thiophen-2-yl-phenoxy}-2-methyl-propionic acid

HCID 10097543
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Basic information

Standard SMILES
COc1cc(OC(C)(C)C(=O)O)c(/C=C/C(=O)c2ccc(S(N)(=O)=O)cc2)cc1-c1cccs1
InChIKey
PNFNHJGQANHYFK-DHZHZOJOSA-N
Molecular formula
C24H23NO7S2
Average molar mass
501.6 g/mol

Names & identifiers

Preferred name
2-{5-Methoxy-2-[3-oxo-3-(4-aminosulfonyl-phenyl)-E-propenyl]-4-thiophen-2-yl-phenoxy}-2-methyl-propionic acid
IUPAC
2-[5-methoxy-2-[(E)-3-oxo-3-(4-sulfamoylphenyl)prop-1-enyl]-4-thiophen-2-ylphenoxy]-2-methylpropanoic acid

Names & synonyms

SCHEMBL6040524PNFNHJGQANHYFK-DHZHZOJOSA-N2-{5-Methoxy-2-[3-oxo-3-(4-aminosulfonyl-phenyl)-E-propenyl]-4-thiophen-2-yl-phenoxy}-2-methyl-propionic acid

Database identifiers

PubChem CID
10097543

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
170 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
34

Related reactions

1 records
New reaction record

Linked notes

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