2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide

C16H12N4OS — CID 168542516

IUPAC2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide
SMILESN#CC(C#N)=CNc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C16H12N4OS/c17-8-12(9-18)10-19-15-6-2-1-5-14(15)16(21)20-11-13-4-3-7-22-13/h1-7,10,19H,11H2,(H,20,21)
InChIKeyJWDCICVQYRLDES-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.02
Rot. Bonds5

About 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide

2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 168542516) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID168542516
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide
SMILESN#CC(C#N)=CNc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C16H12N4OS/c17-8-12(9-18)10-19-15-6-2-1-5-14(15)16(21)20-11-13-4-3-7-22-13/h1-7,10,19H,11H2,(H,20,21)
InChIKeyJWDCICVQYRLDES-UHFFFAOYSA-N
XLogP3.02
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 168521320
2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 2774319
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide
CID 169340076
4-formamido-N-(thiophen-2-ylmethyl)benzamide
CID 168653022
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33161762
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide (CID 168542516) is 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide is N#CC(C#N)=CNc1ccccc1C(=O)NCc1cccs1.
What is the InChIKey of 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is JWDCICVQYRLDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c17-8-12(9-18)10-19-15-6-2-1-5-14(15)16(21)20-11-13-4-3-7-22-13/h1-7,10,19H,11H2,(H,20,21).
What are the key properties of 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide?
2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 308.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 168542516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).