2-(4-tert-Butyl-3-methoxyphenoxy)-N-{3-fluoro-4-[(methylsulfonyl)amino]benzyl}acetamide

HCID 21097464
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Basic information

Standard SMILES
COc1cc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)ccc1C(C)(C)C
InChIKey
UUVNIPYNIFBHTO-UHFFFAOYSA-N
Molecular formula
C21H27FN2O5S
Average molar mass
438.5 g/mol

Names & identifiers

Preferred name
2-(4-tert-Butyl-3-methoxyphenoxy)-N-{3-fluoro-4-[(methylsulfonyl)amino]benzyl}acetamide
IUPAC
2-(4-tert-butyl-3-methoxyphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide

Names & synonyms

SCHEMBL4640623UUVNIPYNIFBHTO-UHFFFAOYSA-N2-(4-tert-Butyl-3-methoxyphenoxy)-N-{3-fluoro-4-[(methylsulfonyl)amino]benzyl}acetamide

Database identifiers

PubChem CID
21097464

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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