3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide

C22H26ClN3O3S — CID 55591996

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-6-26(15(2)17-9-7-16(14-24)8-10-17)21(27)18-11-12-19(23)20(13-18)30(28,29)25-22(3,4)5/h7-13,15,25H,6H2,1-5H3
InChIKeyLOAACNWATSAXJM-UHFFFAOYSA-N
MW447.99 g/mol
LogP4.51
Rot. Bonds6

About 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide

3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide (PubChem CID 55591996) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide
PubChem CID55591996
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-6-26(15(2)17-9-7-16(14-24)8-10-17)21(27)18-11-12-19(23)20(13-18)30(28,29)25-22(3,4)5/h7-13,15,25H,6H2,1-5H3
InChIKeyLOAACNWATSAXJM-UHFFFAOYSA-N
XLogP4.51
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
CID 55594718
2-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethyl-5-methylsulfanylbenzamide
CID 55592511
3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
CID 30878670
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
4-tert-butyl-N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]benzamide
CID 55593120
N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 55592196
3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 30245415
3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 78856600
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 30977305
3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 34756009
ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate
CID 55726615
N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976762

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide (CID 55591996) is 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide is CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(C)c1ccc(C#N)cc1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide?
The InChIKey is LOAACNWATSAXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c1-6-26(15(2)17-9-7-16(14-24)8-10-17)21(27)18-11-12-19(23)20(13-18)30(28,29)25-22(3,4)5/h7-13,15,25H,6H2,1-5H3.
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide has a molecular weight of 447.99 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide is sourced from PubChem (CID 55591996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).