N-[3-Ethyl-4-(quinolin-2-yl-methoxy)phenyl]acetylmethanesulphonamide

HCID 19087800
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Basic information

Standard SMILES
CCc1cc(CC(=O)NS(C)(=O)=O)ccc1OCc1ccc2ccccc2n1
InChIKey
WBVBZAKOCLMBIG-UHFFFAOYSA-N
Molecular formula
C21H22N2O4S
Average molar mass
398.5 g/mol
Monoisotopic mass
398.13002836

Names & identifiers

Preferred name
N-[3-Ethyl-4-(quinolin-2-yl-methoxy)phenyl]acetylmethanesulphonamide
IUPAC
2-[3-ethyl-4-(quinolin-2-ylmethoxy)phenyl]-N-methylsulfonylacetamide

Names & synonyms

SCHEMBL9034909WBVBZAKOCLMBIG-UHFFFAOYSA-NN-[3-Ethyl-4-(quinolin-2-yl-methoxy)phenyl]acetylmethanesulphonamide

Database identifiers

PubChem CID
19087800

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
93.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
28

Related reactions

1 records
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Compound notes

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