[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate

C23H28N2O5S — CID 2599059

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C23H28N2O5S/c1-24(19-9-5-3-6-10-19)22(26)17-30-23(27)18-13-15-21(16-14-18)31(28,29)25(2)20-11-7-4-8-12-20/h4,7-8,11-16,19H,3,5-6,9-10,17H2,1-2H3
InChIKeyRJGYLUIFJASIRO-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.46
Rot. Bonds7

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2599059) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2599059
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C23H28N2O5S/c1-24(19-9-5-3-6-10-19)22(26)17-30-23(27)18-13-15-21(16-14-18)31(28,29)25(2)20-11-7-4-8-12-20/h4,7-8,11-16,19H,3,5-6,9-10,17H2,1-2H3
InChIKeyRJGYLUIFJASIRO-UHFFFAOYSA-N
XLogP3.46
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 7043290
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604741
[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 4544453
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23768227
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491
4-[benzenesulfonyl(methyl)amino]-N-cyclopentyl-N-methylbenzamide
CID 99950308
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506165
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46788854
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25043064
[(1R)-2-oxocyclohexyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2086538
[(1S)-2-oxocyclohexyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2086537
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46638410

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate (CID 2599059) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate is CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is RJGYLUIFJASIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-24(19-9-5-3-6-10-19)22(26)17-30-23(27)18-13-15-21(16-14-18)31(28,29)25(2)20-11-7-4-8-12-20/h4,7-8,11-16,19H,3,5-6,9-10,17H2,1-2H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 444.55 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2599059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).