N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide

C14H13N3O3S2 — CID 2105110

IUPACN-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C14H13N3O3S2/c1-17(2)22(19,20)12-5-3-10(4-6-12)13(18)16-14-11(9-15)7-8-21-14/h3-8H,1-2H3,(H,16,18)
InChIKeyZIJMVSRTJRVXQP-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.12
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide

N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 2105110) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
PubChem CID2105110
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC NameN-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C14H13N3O3S2/c1-17(2)22(19,20)12-5-3-10(4-6-12)13(18)16-14-11(9-15)7-8-21-14/h3-8H,1-2H3,(H,16,18)
InChIKeyZIJMVSRTJRVXQP-UHFFFAOYSA-N
XLogP2.12
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 7656091
N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 18587186
4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
CID 2137686
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
N-(3-cyanothiophen-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 7164210
N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2105108
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
CID 26187229
4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
CID 8914920
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111107846

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide (CID 2105110) is N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is ZIJMVSRTJRVXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-17(2)22(19,20)12-5-3-10(4-6-12)13(18)16-14-11(9-15)7-8-21-14/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide?
N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.12, 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)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2105110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).