N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide

C14H12N2O3S — CID 7192360

IUPACN-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1sccc1C#N
InChIInChI=1S/C14H12N2O3S/c1-18-10-4-3-5-11(19-2)12(10)13(17)16-14-9(8-15)6-7-20-14/h3-7H,1-2H3,(H,16,17)
InChIKeyHABLUHCPBHWWBP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.89
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide

N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide (PubChem CID 7192360) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
PubChem CID7192360
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1sccc1C#N
InChIInChI=1S/C14H12N2O3S/c1-18-10-4-3-5-11(19-2)12(10)13(17)16-14-9(8-15)6-7-20-14/h3-7H,1-2H3,(H,16,17)
InChIKeyHABLUHCPBHWWBP-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

Analyze N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanothiophen-2-yl)-3-methoxybenzamide
CID 2377141
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)-4-methoxy-3-nitrobenzamide
CID 8915009
N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 16911918
N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
CID 7192379
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide
CID 61118422
N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17447395
[1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2,3,4-trimethoxybenzoate
CID 18090855
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide (CID 7192360) is N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide?
The InChIKey is HABLUHCPBHWWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-18-10-4-3-5-11(19-2)12(10)13(17)16-14-9(8-15)6-7-20-14/h3-7H,1-2H3,(H,16,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide?
N-(3-cyanothiophen-2-yl)-2,6-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)-2,6-dimethoxybenzamide is sourced from PubChem (CID 7192360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).