N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide

C26H27N3O3S — CID 55592196

IUPACN-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C26H27N3O3S/c1-4-28(20(3)22-16-14-21(19-27)15-17-22)26(30)23-10-9-13-25(18-23)33(31,32)29(5-2)24-11-7-6-8-12-24/h6-18,20H,4-5H2,1-3H3
InChIKeyWXGPSIJZOYPVBF-UHFFFAOYSA-N
MW461.59 g/mol
LogP5.00
Rot. Bonds8

About N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide

N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 55592196) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID55592196
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C26H27N3O3S/c1-4-28(20(3)22-16-14-21(19-27)15-17-22)26(30)23-10-9-13-25(18-23)33(31,32)29(5-2)24-11-7-6-8-12-24/h6-18,20H,4-5H2,1-3H3
InChIKeyWXGPSIJZOYPVBF-UHFFFAOYSA-N
XLogP5.00
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55510278
3-cyano-N-[(2S)-2-hydroxybutyl]-N-phenylbenzenesulfonamide
CID 95155706
(4-cyanophenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2710043
3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide
CID 55591996
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 119405879
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579679
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
CID 61062784
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
N-ethyl-3-(3-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 119577414

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide (CID 55592196) is N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide is CCN(C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1)C(C)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is WXGPSIJZOYPVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-4-28(20(3)22-16-14-21(19-27)15-17-22)26(30)23-10-9-13-25(18-23)33(31,32)29(5-2)24-11-7-6-8-12-24/h6-18,20H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide?
N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 461.59 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55592196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).