4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide

C20H17N3O3S2 — CID 55566246

IUPAC4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
SMILESN#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1
InChIInChI=1S/C20H17N3O3S2/c21-12-4-13-22-28(25,26)16-10-8-15(9-11-16)20(24)23-18-6-2-1-5-17(18)19-7-3-14-27-19/h1-3,5-11,14,22H,4,13H2,(H,23,24)
InChIKeyZRYUEISAPIYJHD-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.86
Rot. Bonds7

About 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide

4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide (PubChem CID 55566246) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
PubChem CID55566246
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
SMILESN#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1
InChIInChI=1S/C20H17N3O3S2/c21-12-4-13-22-28(25,26)16-10-8-15(9-11-16)20(24)23-18-6-2-1-5-17(18)19-7-3-14-27-19/h1-3,5-11,14,22H,4,13H2,(H,23,24)
InChIKeyZRYUEISAPIYJHD-UHFFFAOYSA-N
XLogP3.86
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyanoethylsulfamoyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33371496
N-methyl-4-[(2-thiophen-2-ylphenyl)sulfamoyl]benzamide
CID 17467119
4-(2-cyanoethylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 34298929
4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 46529163
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469203
4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide
CID 47112556
3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469920
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 43069920
N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
CID 109058046
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 37175902
N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 32684648
N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060998

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide?
The IUPAC name of 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide (CID 55566246) is 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide?
The canonical SMILES for 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide is N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1.
What is the InChIKey of 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide?
The InChIKey is ZRYUEISAPIYJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c21-12-4-13-22-28(25,26)16-10-8-15(9-11-16)20(24)23-18-6-2-1-5-17(18)19-7-3-14-27-19/h1-3,5-11,14,22H,4,13H2,(H,23,24).
What are the key properties of 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide?
4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide has a molecular weight of 411.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide is sourced from PubChem (CID 55566246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).