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

C14H12N2O3S — CID 7164206

IUPACN-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sccc2C#N)cc1OC
InChIInChI=1S/C14H12N2O3S/c1-18-11-4-3-9(7-12(11)19-2)13(17)16-14-10(8-15)5-6-20-14/h3-7H,1-2H3,(H,16,17)
InChIKeyGVGCICSZNNOBAH-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.89
Rot. Bonds4

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

N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide (PubChem CID 7164206) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
PubChem CID7164206
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sccc2C#N)cc1OC
InChIInChI=1S/C14H12N2O3S/c1-18-11-4-3-9(7-12(11)19-2)13(17)16-14-10(8-15)5-6-20-14/h3-7H,1-2H3,(H,16,17)
InChIKeyGVGCICSZNNOBAH-UHFFFAOYSA-N
XLogP2.89
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-4-methoxy-3-nitrobenzamide
CID 8915009
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 16911918
N-(3-cyanothiophen-2-yl)-3-methoxybenzamide
CID 2377141
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
N-(3-cyanothiophen-2-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 27271462
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968819
[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 9310117
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide
CID 61118422
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 8875978

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide (CID 7164206) is N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2sccc2C#N)cc1OC.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide?
The InChIKey is GVGCICSZNNOBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-18-11-4-3-9(7-12(11)19-2)13(17)16-14-10(8-15)5-6-20-14/h3-7H,1-2H3,(H,16,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide?
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide has a molecular weight of 288.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 7164206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).