4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide

C24H29N3O3S2 — CID 16831376

IUPAC4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1
InChIInChI=1S/C24H29N3O3S2/c1-4-27(19-8-6-5-7-9-19)32(29,30)20-13-11-18(12-14-20)23(28)26-24-25-22-17(3)16(2)10-15-21(22)31-24/h10-15,19H,4-9H2,1-3H3,(H,25,26,28)
InChIKeyMLDLFWFUYIJYAJ-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.51
Rot. Bonds6

About 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide

4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16831376) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID16831376
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1
InChIInChI=1S/C24H29N3O3S2/c1-4-27(19-8-6-5-7-9-19)32(29,30)20-13-11-18(12-14-20)23(28)26-24-25-22-17(3)16(2)10-15-21(22)31-24/h10-15,19H,4-9H2,1-3H3,(H,25,26,28)
InChIKeyMLDLFWFUYIJYAJ-UHFFFAOYSA-N
XLogP5.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 16831380
4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 16831383
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43947275
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831189
4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 43947317
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579507
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-[cyclohexyl(ethyl)sulfamoyl]benzamide
CID 41149342
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[cyclohexyl(ethyl)sulfamoyl]benzamide
CID 16831528
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 43947389
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7267223

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 16831376) is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1.
What is the InChIKey of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MLDLFWFUYIJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-4-27(19-8-6-5-7-9-19)32(29,30)20-13-11-18(12-14-20)23(28)26-24-25-22-17(3)16(2)10-15-21(22)31-24/h10-15,19H,4-9H2,1-3H3,(H,25,26,28).
What are the key properties of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 471.65 g/mol, XLogP of 5.51, 6 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-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16831376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).