[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate

C20H28N2O6S — CID 9199124

IUPAC[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C20H28N2O6S/c1-15(23)8-13-20(25)28-14-19(24)21-16-9-11-18(12-10-16)29(26,27)22(2)17-6-4-3-5-7-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,21,24)
InChIKeyACVQXSGJBMLIML-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.49
Rot. Bonds9

About [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate

[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate (PubChem CID 9199124) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate.

Molecular Properties

Compound Name[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
PubChem CID9199124
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C20H28N2O6S/c1-15(23)8-13-20(25)28-14-19(24)21-16-9-11-18(12-10-16)29(26,27)22(2)17-6-4-3-5-7-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,21,24)
InChIKeyACVQXSGJBMLIML-UHFFFAOYSA-N
XLogP2.49
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
2-(4-bromophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 2969352
2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924171
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
2-(2-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924223
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 2223888
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924131
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944471
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 18204253
3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 17178988

Frequently Asked Questions

What is the IUPAC name of [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate?
The IUPAC name of [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate (CID 9199124) is [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate.
What is the SMILES notation for [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate?
The canonical SMILES for [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate is CC(=O)CCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate?
The InChIKey is ACVQXSGJBMLIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-15(23)8-13-20(25)28-14-19(24)21-16-9-11-18(12-10-16)29(26,27)22(2)17-6-4-3-5-7-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,21,24).
What are the key properties of [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate?
[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate has a molecular weight of 424.52 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate is sourced from PubChem (CID 9199124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).