N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide

C16H16N2O2S — CID 2970676

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H16N2O2S/c1-4-20-13-7-5-6-12(8-13)15(19)18-16-14(9-17)10(2)11(3)21-16/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyORYSDVBWMJGROS-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.89
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide (PubChem CID 2970676) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
PubChem CID2970676
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H16N2O2S/c1-4-20-13-7-5-6-12(8-13)15(19)18-16-14(9-17)10(2)11(3)21-16/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyORYSDVBWMJGROS-UHFFFAOYSA-N
XLogP3.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide
CID 43981375
2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 4957428
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-nitrobenzamide
CID 4179547
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-ethoxybenzamide
CID 2989095
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 17444399
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide
CID 50745021
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032
2-chloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589296
3-amino-4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 61112822
4-(bromomethyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 102850904
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide (CID 2970676) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide?
The InChIKey is ORYSDVBWMJGROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-4-20-13-7-5-6-12(8-13)15(19)18-16-14(9-17)10(2)11(3)21-16/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide has a molecular weight of 300.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide is sourced from PubChem (CID 2970676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).