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N-[4-[4-[ethyl-(6-hydroxy-6-methylheptyl)amino]but-1-enyl]phenyl]methanesulfonamide

HCID 53675393
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CCC=Cc1ccc(NS(C)(=O)=O)cc1)CCCCCC(C)(C)O
InChIKey
BCURWJWFMCLIBQ-UHFFFAOYSA-N
Molecular formula
C21H36N2O3S
Average molar mass
396.6 g/mol

Names & identifiers

Preferred name
N-[4-[4-[ethyl-(6-hydroxy-6-methylheptyl)amino]but-1-enyl]phenyl]methanesulfonamide
IUPAC
N-[4-[4-[ethyl-(6-hydroxy-6-methylheptyl)amino]but-1-enyl]phenyl]methanesulfonamide

Names & synonyms

SCHEMBL9218322

Database identifiers

PubChem CID
53675393

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
78 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
27
Formal charge
0
Complexity
518

Related reactions

1 records
New reaction record
HRID 1139323 reaction equation
HRID 1139323As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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