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N-(3-Cyano-5-ethyl-4-methylthiophen-2-ylcarbamoyl)benzamide

HCID 57456904
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1sc(NC(=O)NC(=O)c2ccccc2)c(C#N)c1C
InChIKey
CGIGSVXKBKIPKR-UHFFFAOYSA-N
Molecular formula
C16H15N3O2S
Average molar mass
313.4 g/mol

Names & identifiers

Preferred name
N-(3-Cyano-5-ethyl-4-methylthiophen-2-ylcarbamoyl)benzamide
IUPAC
N-[(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamoyl]benzamide

Names & synonyms

SCHEMBL1622528CGIGSVXKBKIPKR-UHFFFAOYSA-NN-(3-Cyano-5-ethyl-4-methylthiophen-2-ylcarbamoyl)benzamide

Database identifiers

PubChem CID
57456904

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
110 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
467

Related reactions

5 records
New reaction record
HRID 44341 reaction equation
HRID 44341As productuspto-grants-2013_09
HRID 471473 reaction equation
HRID 471473As productuspto-grants-2014_01
HRID 711610 reaction equation
HRID 711610As productuspto-grants-2015_11
HRID 1152586 reaction equation
HRID 1152586As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2076956 reaction equation
HRID 2076956As productuspto-grants-2011_04

Compound notes

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