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

C24H27N3O5S — CID 41149330

IUPAC4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C24H27N3O5S/c1-3-27(18-7-5-4-6-8-18)33(31,32)19-12-9-16(10-13-19)22(28)25-17-11-14-20-21(15-17)24(30)26(2)23(20)29/h9-15,18H,3-8H2,1-2H3,(H,25,28)
InChIKeyUIMYNFWGUQMCLU-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.51
Rot. Bonds6

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

4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 41149330) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
PubChem CID41149330
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C24H27N3O5S/c1-3-27(18-7-5-4-6-8-18)33(31,32)19-12-9-16(10-13-19)22(28)25-17-11-14-20-21(15-17)24(30)26(2)23(20)29/h9-15,18H,3-8H2,1-2H3,(H,25,28)
InChIKeyUIMYNFWGUQMCLU-UHFFFAOYSA-N
XLogP3.51
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41363949
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55333038
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 31508567
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 4295419
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41209438
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
4-[cyclopropyl(ethyl)sulfamoyl]-N-methylbenzamide
CID 24679124
N-cyclopentyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43541535
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
[4-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] propanoate
CID 2221764
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (CID 41149330) is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1.
What is the InChIKey of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is UIMYNFWGUQMCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-3-27(18-7-5-4-6-8-18)33(31,32)19-12-9-16(10-13-19)22(28)25-17-11-14-20-21(15-17)24(30)26(2)23(20)29/h9-15,18H,3-8H2,1-2H3,(H,25,28).
What are the key properties of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 469.56 g/mol, XLogP of 3.51, 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-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 41149330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).