N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide

C14H12N2O3S2 — CID 7578700

IUPACN-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C14H12N2O3S2/c1-2-21(18,19)12-6-4-3-5-11(12)13(17)16-14-10(9-15)7-8-20-14/h3-8H,2H2,1H3,(H,16,17)
InChIKeyWRLWKTKHFRAGBO-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.67
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide

N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide (PubChem CID 7578700) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
PubChem CID7578700
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC NameN-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C14H12N2O3S2/c1-2-21(18,19)12-6-4-3-5-11(12)13(17)16-14-10(9-15)7-8-20-14/h3-8H,2H2,1H3,(H,16,17)
InChIKeyWRLWKTKHFRAGBO-UHFFFAOYSA-N
XLogP2.67
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide
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N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-ethylsulfonylbenzamide
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2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide (CID 7578700) is N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide?
The InChIKey is WRLWKTKHFRAGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-2-21(18,19)12-6-4-3-5-11(12)13(17)16-14-10(9-15)7-8-20-14/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide?
N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide has a molecular weight of 320.40 g/mol, XLogP of 2.67, 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-ethylsulfonylbenzamide is sourced from PubChem (CID 7578700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).