{[4-(4-Fluoro-butoxy)benzenesulfonyl](4-methoxy-benzyl)-amino}-acetic acid

HCID 21884797

Basic information

Standard SMILES
COc1ccc(CN(CC(=O)O)S(=O)(=O)c2ccc(OCCCCF)cc2)cc1
InChIKey
WXFLHLYQTNNORK-UHFFFAOYSA-N
Molecular formula
C20H24FNO6S
Average molar mass
425.5 g/mol
Monoisotopic mass
425.13083682

Names & identifiers

Preferred name
{[4-(4-Fluoro-butoxy)benzenesulfonyl](4-methoxy-benzyl)-amino}-acetic acid
IUPAC
2-[[4-(4-fluorobutoxy)phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]acetic acid

Names & synonyms

SCHEMBL2513848WXFLHLYQTNNORK-UHFFFAOYSA-N{[4-(4-fluoro-butoxy)benzenesulfonyl](4-methoxy-benzyl)-amino}-acetic acid{[4-(4-fluorobutoxy)-benzenesulfonyl](4-methoxy-benzyl)-amino}-acetic acid([4-(4-fluoro-butoxy)-benzenesulfonyl]-(4-methoxy-benzyl)-amino)-acetic acid([4-(4-fluorobutoxy)-benzenesulfonyl]-(4-methoxy-benzyl)-amino)-acetic acid

Database identifiers

PubChem CID
21884797

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
29

Related reactions

5 records

Compound notes

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