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

HCID 21980992
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Basic information

Standard SMILES
COc1cc(OC(C)(C)C(=O)O)c(-c2cccs2)cc1/C=C/C(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIKey
LFDGUCXTSISAEI-JLHYYAGUSA-N
Molecular formula
C26H27NO7S2
Average molar mass
529.6 g/mol

Names & identifiers

Preferred name
2-(4-{3-[4-(Methanesulfonyl-methyl-amino)-phenyl]-3-oxo-E-propenyl}-5-methoxy-2-thiophen-2-yl-phenoxy)-2-methyl-propionic acid
IUPAC
2-[5-methoxy-4-[(E)-3-[4-[methyl(methylsulfonyl)amino]phenyl]-3-oxoprop-1-enyl]-2-thiophen-2-ylphenoxy]-2-methylpropanoic acid

Names & synonyms

LFDGUCXTSISAEI-JLHYYAGUSA-N2-(4-{3-[4-(Methanesulfonyl-methyl-amino)-phenyl]-3-oxo-E-propenyl}-5 methoxy-2-thiophen-2-yl-phenoxy)-2-methyl-propionic acid2-(4-{3-[4-(Methanesulfonyl-methyl-amino)-phenyl]-3-oxo-E-propenyl}-5-methoxy-2-thiophen-2-yl-phenoxy)-2-methyl-propionic acid

Database identifiers

PubChem CID
21980992

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
147 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
36

Related reactions

1 records
New reaction record

Compound notes

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