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4-Phenyl-5-propyl-thiophene-2-carboxylic acid methoxy-methyl-amide

HCID 86640176
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCc1sc(C(=O)N(C)OC)cc1-c1ccccc1
InChIKey
WVVRKTOPIGVJNL-UHFFFAOYSA-N
Molecular formula
C16H19NO2S
Average molar mass
289.4 g/mol
Monoisotopic mass
289.11365002

Names & identifiers

Preferred name
4-Phenyl-5-propyl-thiophene-2-carboxylic acid methoxy-methyl-amide
IUPAC
N-methoxy-N-methyl-4-phenyl-5-propylthiophene-2-carboxamide

Names & synonyms

SCHEMBL1797134WVVRKTOPIGVJNL-UHFFFAOYSA-N4-phenyl-5-propyl-thiophene-2-carboxylic acid methoxy-methyl-amide

Database identifiers

PubChem CID
86640176

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
57.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
318

Related reactions

3 records
New reaction record
HRID 552295 reaction equation
HRID 552295As productuspto-grants-2011_05
HRID 552296 reaction equation
HRID 552296As reactantuspto-grants-2011_05
HRID 1546727 reaction equation
HRID 1546727As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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