4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide

C24H29N3O3S2 — CID 16831380

IUPAC4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CC)C4CCCCC4)cc3)nc12
InChIInChI=1S/C24H29N3O3S2/c1-3-17-9-8-12-21-22(17)25-24(31-21)26-23(28)18-13-15-20(16-14-18)32(29,30)27(4-2)19-10-6-5-7-11-19/h8-9,12-16,19H,3-7,10-11H2,1-2H3,(H,25,26,28)
InChIKeyJQINPPQZHKTSON-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.45
Rot. Bonds7

About 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide

4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16831380) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID16831380
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CC)C4CCCCC4)cc3)nc12
InChIInChI=1S/C24H29N3O3S2/c1-3-17-9-8-12-21-22(17)25-24(31-21)26-23(28)18-13-15-20(16-14-18)32(29,30)27(4-2)19-10-6-5-7-11-19/h8-9,12-16,19H,3-7,10-11H2,1-2H3,(H,25,26,28)
InChIKeyJQINPPQZHKTSON-UHFFFAOYSA-N
XLogP5.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 16831376
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43947275
4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 16831383
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 16825435
N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831189
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16825437
4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41235454
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 7202719
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[cyclohexyl(ethyl)sulfamoyl]benzamide
CID 16831528
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
4-(dipropylsulfamoyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4614245

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide (CID 16831380) is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide is CCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CC)C4CCCCC4)cc3)nc12.
What is the InChIKey of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is JQINPPQZHKTSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-3-17-9-8-12-21-22(17)25-24(31-21)26-23(28)18-13-15-20(16-14-18)32(29,30)27(4-2)19-10-6-5-7-11-19/h8-9,12-16,19H,3-7,10-11H2,1-2H3,(H,25,26,28).
What are the key properties of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 471.65 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16831380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).