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2-[4-tert-butyl-2-(piperidin-1-ylmethyl)phenoxy]-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]acetamide

HCID 21097435
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C(C)NC(=O)COc2ccc(C(C)(C)C)cc2CN2CCCCC2)ccc1NS(C)(=O)=O
InChIKey
QAUQKGJGTQYLDH-UHFFFAOYSA-N
Molecular formula
C28H41N3O4S
Average molar mass
515.7 g/mol
Monoisotopic mass
515.28177797

Names & identifiers

Preferred name
2-[4-tert-butyl-2-(piperidin-1-ylmethyl)phenoxy]-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]acetamide
IUPAC
2-[4-tert-butyl-2-(piperidin-1-ylmethyl)phenoxy]-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]acetamide

Names & synonyms

SCHEMBL5924826

Database identifiers

PubChem CID
21097435

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
96.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
36
Formal charge
0
Complexity
801

Related reactions

1 records
New reaction record
HRID 100442 reaction equation
HRID 100442As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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