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

C25H32N2O5S — CID 1169072

IUPACmethyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C2CCCCC2)cc1
InChIInChI=1S/C25H32N2O5S/c1-17-14-18(2)24(19(3)15-17)26-23(28)16-27(21-8-6-5-7-9-21)33(30,31)22-12-10-20(11-13-22)25(29)32-4/h10-15,21H,5-9,16H2,1-4H3,(H,26,28)
InChIKeyVNUAZORYPIMOBV-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.36
Rot. Bonds7

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

methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate (PubChem CID 1169072) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate
PubChem CID1169072
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Namemethyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C2CCCCC2)cc1
InChIInChI=1S/C25H32N2O5S/c1-17-14-18(2)24(19(3)15-17)26-23(28)16-27(21-8-6-5-7-9-21)33(30,31)22-12-10-20(11-13-22)25(29)32-4/h10-15,21H,5-9,16H2,1-4H3,(H,26,28)
InChIKeyVNUAZORYPIMOBV-UHFFFAOYSA-N
XLogP4.36
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 1169069
methyl 4-[[2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 2909473
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26313001
N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 100797109
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-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100798519
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113147951
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate (CID 1169072) is methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C2CCCCC2)cc1.
What is the InChIKey of methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate?
The InChIKey is VNUAZORYPIMOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-17-14-18(2)24(19(3)15-17)26-23(28)16-27(21-8-6-5-7-9-21)33(30,31)22-12-10-20(11-13-22)25(29)32-4/h10-15,21H,5-9,16H2,1-4H3,(H,26,28).
What are the key properties of methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate?
methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate has a molecular weight of 472.61 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate is sourced from PubChem (CID 1169072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).