4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C25H33N3O4S — CID 26313001

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C25H33N3O4S/c1-17-14-18(2)24(19(3)15-17)27-23(29)16-26-25(30)20-10-12-22(13-11-20)33(31,32)28(4)21-8-6-5-7-9-21/h10-15,21H,5-9,16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyLZBVUGXFVCDGIR-UHFFFAOYSA-N
MW471.62 g/mol
LogP3.93
Rot. Bonds7

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 26313001) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID26313001
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C25H33N3O4S/c1-17-14-18(2)24(19(3)15-17)27-23(29)16-26-25(30)20-10-12-22(13-11-20)33(31,32)28(4)21-8-6-5-7-9-21/h10-15,21H,5-9,16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyLZBVUGXFVCDGIR-UHFFFAOYSA-N
XLogP3.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 43021818
methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate
CID 1169072
N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 46494457
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119432186
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26458905
4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 25353015
4-[cyclopropyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)benzamide
CID 41364081
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 26313001) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(C)c1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is LZBVUGXFVCDGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-17-14-18(2)24(19(3)15-17)27-23(29)16-26-25(30)20-10-12-22(13-11-20)33(31,32)28(4)21-8-6-5-7-9-21/h10-15,21H,5-9,16H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 471.62 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 26313001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).