4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide

C12H15N3O3S — CID 47112556

IUPAC4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-14-12(16)10-4-6-11(7-5-10)19(17,18)15-9-3-8-13/h4-7,15H,2-3,9H2,1H3,(H,14,16)
InChIKeyBKXLKOAXIWRDIL-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.63
Rot. Bonds6

About 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide

4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide (PubChem CID 47112556) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide
PubChem CID47112556
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-14-12(16)10-4-6-11(7-5-10)19(17,18)15-9-3-8-13/h4-7,15H,2-3,9H2,1H3,(H,14,16)
InChIKeyBKXLKOAXIWRDIL-UHFFFAOYSA-N
XLogP0.63
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-cyanoethylsulfamoyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8742825
N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 32684648
4-(2-cyanoethylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 34298929
4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 46529163
[(1R)-1-cyanoethyl] 4-(2-cyanoethylsulfamoyl)benzoate
CID 7490666
2-hydroxyethyl 4-(2-cyanoethylsulfamoyl)benzoate
CID 24530923
4-(2-cyanoethylsulfamoyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 78804741
N-[(4-bromophenyl)methyl]-4-(2-cyanoethylsulfamoyl)-N-methylbenzamide
CID 32758145
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 43069920
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(2-cyanoethylsulfamoyl)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
CID 46591250
N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
CID 55904950

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide?
The IUPAC name of 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide (CID 47112556) is 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide.
What is the SMILES notation for 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide?
The canonical SMILES for 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide is CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1.
What is the InChIKey of 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide?
The InChIKey is BKXLKOAXIWRDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-14-12(16)10-4-6-11(7-5-10)19(17,18)15-9-3-8-13/h4-7,15H,2-3,9H2,1H3,(H,14,16).
What are the key properties of 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide?
4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide has a molecular weight of 281.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide is sourced from PubChem (CID 47112556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).