2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide

C15H13N3O2S — CID 168521320

IUPAC2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESN#CCC(=O)Nc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C15H13N3O2S/c16-8-7-14(19)18-13-6-2-1-5-12(13)15(20)17-10-11-4-3-9-21-11/h1-6,9H,7,10H2,(H,17,20)(H,18,19)
InChIKeyKUFYRJGYQQJQIK-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.53
Rot. Bonds5

About 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide

2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 168521320) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID168521320
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESN#CCC(=O)Nc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C15H13N3O2S/c16-8-7-14(19)18-13-6-2-1-5-12(13)15(20)17-10-11-4-3-9-21-11/h1-6,9H,7,10H2,(H,17,20)(H,18,19)
InChIKeyKUFYRJGYQQJQIK-UHFFFAOYSA-N
XLogP2.53
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 2774319
2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 168542516
2-[(2-cyanoacetyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168520890
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
CID 168521609
2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide
CID 168523939
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide (CID 168521320) is 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide is N#CCC(=O)Nc1ccccc1C(=O)NCc1cccs1.
What is the InChIKey of 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KUFYRJGYQQJQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-8-7-14(19)18-13-6-2-1-5-12(13)15(20)17-10-11-4-3-9-21-11/h1-6,9H,7,10H2,(H,17,20)(H,18,19).
What are the key properties of 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 299.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 168521320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).