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

C17H19N3O3S2 — CID 2137686

IUPAC4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C17H19N3O3S2/c1-3-4-10-20(2)25(22,23)15-7-5-13(6-8-15)16(21)19-17-14(12-18)9-11-24-17/h5-9,11H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyDAZYDFWDMLBOEM-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.29
Rot. Bonds7

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

4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide (PubChem CID 2137686) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
PubChem CID2137686
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C17H19N3O3S2/c1-3-4-10-20(2)25(22,23)15-7-5-13(6-8-15)16(21)19-17-14(12-18)9-11-24-17/h5-9,11H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyDAZYDFWDMLBOEM-UHFFFAOYSA-N
XLogP3.29
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.29
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-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 7656091
N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 18587186
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058845
4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
CID 8914920
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
CID 26187229
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
methyl 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 23958963
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide (CID 2137686) is 4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide?
The InChIKey is DAZYDFWDMLBOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-3-4-10-20(2)25(22,23)15-7-5-13(6-8-15)16(21)19-17-14(12-18)9-11-24-17/h5-9,11H,3-4,10H2,1-2H3,(H,19,21).
What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide?
4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide is sourced from PubChem (CID 2137686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).