N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide

C14H12N2OS — CID 2137658

IUPACN-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2sccc2C#N)cc1C
InChIInChI=1S/C14H12N2OS/c1-9-3-4-11(7-10(9)2)13(17)16-14-12(8-15)5-6-18-14/h3-7H,1-2H3,(H,16,17)
InChIKeyYBIZEZWQIMZRLS-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.49
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide

N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide (PubChem CID 2137658) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
PubChem CID2137658
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2sccc2C#N)cc1C
InChIInChI=1S/C14H12N2OS/c1-9-3-4-11(7-10(9)2)13(17)16-14-12(8-15)5-6-18-14/h3-7H,1-2H3,(H,16,17)
InChIKeyYBIZEZWQIMZRLS-UHFFFAOYSA-N
XLogP3.49
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
N-(3-cyanothiophen-2-yl)-3-methoxybenzamide
CID 2377141
N-(3-cyanothiophen-2-yl)-4-methoxy-3-nitrobenzamide
CID 8915009
4-bromo-N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)benzamide
CID 81468993
N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8759941
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-propan-2-ylsulfanylbenzamide
CID 18587111
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide (CID 2137658) is N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2sccc2C#N)cc1C.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide?
The InChIKey is YBIZEZWQIMZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-3-4-11(7-10(9)2)13(17)16-14-12(8-15)5-6-18-14/h3-7H,1-2H3,(H,16,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide?
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide has a molecular weight of 256.33 g/mol, XLogP of 3.49, 2 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)-3,4-dimethylbenzamide is sourced from PubChem (CID 2137658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).