N-[2-(4-Phenylethynylbenzamido)benzenesulfonyl]decanamide

HCID 12043045
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Basic information

Standard SMILES
CCCCCCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1
InChIKey
IRRFCJWIWCQSLD-UHFFFAOYSA-N
Molecular formula
C31H34N2O4S
Average molar mass
530.7 g/mol
Monoisotopic mass
530.22392874

Names & identifiers

Preferred name
N-[2-(4-Phenylethynylbenzamido)benzenesulfonyl]decanamide
IUPAC
N-[2-(decanoylsulfamoyl)phenyl]-4-(2-phenylethynyl)benzamide

Names & synonyms

SCHEMBL7051034IRRFCJWIWCQSLD-UHFFFAOYSA-NN-[2-(4-Phenylethynylbenzamido)benzenesulfonyl]decanamide

Database identifiers

PubChem CID
12043045

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
14
Heavy atoms
38

Related reactions

2 records
New reaction record

Compound notes

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