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2-(4-tert-butylphenoxy)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]acetamide

HCID 21097443
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C(C)NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O
InChIKey
ZHANCXYGEGQGNE-UHFFFAOYSA-N
Molecular formula
C22H30N2O4S
Average molar mass
418.6 g/mol

Names & identifiers

Preferred name
2-(4-tert-butylphenoxy)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]acetamide
IUPAC
2-(4-tert-butylphenoxy)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]acetamide

Names & synonyms

SCHEMBL14099216

Database identifiers

PubChem CID
21097443

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
92.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Formal charge
0
Complexity
630

Related reactions

1 records
New reaction record
HRID 305277 reaction equation
HRID 305277As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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