N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide

C18H19N3O3S2 — CID 7656091

IUPACN-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C18H19N3O3S2/c1-21(15-4-2-3-5-15)26(23,24)16-8-6-13(7-9-16)17(22)20-18-14(12-19)10-11-25-18/h6-11,15H,2-5H2,1H3,(H,20,22)
InChIKeyLYHMBCLIGWSIJH-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.44
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide

N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide (PubChem CID 7656091) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
PubChem CID7656091
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C18H19N3O3S2/c1-21(15-4-2-3-5-15)26(23,24)16-8-6-13(7-9-16)17(22)20-18-14(12-19)10-11-25-18/h6-11,15H,2-5H2,1H3,(H,20,22)
InChIKeyLYHMBCLIGWSIJH-UHFFFAOYSA-N
XLogP3.44
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2105110
N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55905047
N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 18587186
methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate
CID 43947365
4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
CID 2137686
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-(3-cyanothiophen-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 7164210
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469203
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide (CID 7656091) is N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide is CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
The InChIKey is LYHMBCLIGWSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-21(15-4-2-3-5-15)26(23,24)16-8-6-13(7-9-16)17(22)20-18-14(12-19)10-11-25-18/h6-11,15H,2-5H2,1H3,(H,20,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.44, 5 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-[cyclopentyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 7656091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).