4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide

C15H11N5OS — CID 169340076

IUPAC4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESN#CC(C#N)=NNc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H11N5OS/c16-8-13(9-17)20-19-12-5-3-11(4-6-12)15(21)18-10-14-2-1-7-22-14/h1-7,19H,10H2,(H,18,21)
InChIKeyJYCQVSUGAUOXLU-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.49
Rot. Bonds5

About 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide

4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 169340076) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID169340076
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESN#CC(C#N)=NNc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H11N5OS/c16-8-13(9-17)20-19-12-5-3-11(4-6-12)15(21)18-10-14-2-1-7-22-14/h1-7,19H,10H2,(H,18,21)
InChIKeyJYCQVSUGAUOXLU-UHFFFAOYSA-N
XLogP2.49
TPSA101.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-formamido-N-(thiophen-2-ylmethyl)benzamide
CID 168653022
N-[4-(thiophen-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954858
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide
CID 169338311
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 168542516
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide (CID 169340076) is 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide is N#CC(C#N)=NNc1ccc(C(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is JYCQVSUGAUOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c16-8-13(9-17)20-19-12-5-3-11(4-6-12)15(21)18-10-14-2-1-7-22-14/h1-7,19H,10H2,(H,18,21).
What are the key properties of 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide?
4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 309.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 169340076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).