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

HCID 21097461
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Basic information

Standard SMILES
CC(C)(C)c1ccc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1OCC1CC1
InChIKey
BKIQDOZHPPXZQZ-UHFFFAOYSA-N
Molecular formula
C24H31FN2O5S
Average molar mass
478.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL4645416BKIQDOZHPPXZQZ-UHFFFAOYSA-N2-[4-tert-Butyl-3-(cyclopropylmethoxy)phenoxy]-N-{3-fluoro-4-[(methylsulfonyl)amino]benzyl}acetamide

Database identifiers

PubChem CID
21097461

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
33

Related reactions

2 records
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Compound notes

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