N-(3-cyanothiophen-2-yl)-4-ethylbenzamide

C14H12N2OS — CID 8914983

IUPACN-(3-cyanothiophen-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C14H12N2OS/c1-2-10-3-5-11(6-4-10)13(17)16-14-12(9-15)7-8-18-14/h3-8H,2H2,1H3,(H,16,17)
InChIKeyJXRHXQSMVUHIBF-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.43
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-4-ethylbenzamide

N-(3-cyanothiophen-2-yl)-4-ethylbenzamide (PubChem CID 8914983) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-4-ethylbenzamide
PubChem CID8914983
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(3-cyanothiophen-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C14H12N2OS/c1-2-10-3-5-11(6-4-10)13(17)16-14-12(9-15)7-8-18-14/h3-8H,2H2,1H3,(H,16,17)
InChIKeyJXRHXQSMVUHIBF-UHFFFAOYSA-N
XLogP3.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 18587186
N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2105110
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
CID 2137686
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
2-amino-N-(3-cyanothiophen-2-yl)pentanamide
CID 61259478
N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide
CID 26187236
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-4-ethylbenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-4-ethylbenzamide (CID 8914983) is N-(3-cyanothiophen-2-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-4-ethylbenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-4-ethylbenzamide?
The InChIKey is JXRHXQSMVUHIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-2-10-3-5-11(6-4-10)13(17)16-14-12(9-15)7-8-18-14/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-4-ethylbenzamide?
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide has a molecular weight of 256.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-4-ethylbenzamide is sourced from PubChem (CID 8914983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).