[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

C16H22N2O6S — CID 55569249

IUPAC[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2(O)CCCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C16H22N2O6S/c1-11-5-6-12(9-13(11)25(17,22)23)18-14(19)10-24-15(20)16(21)7-3-2-4-8-16/h5-6,9,21H,2-4,7-8,10H2,1H3,(H,18,19)(H2,17,22,23)
InChIKeyJSUVQIMRKAEEFW-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.82
Rot. Bonds5

About [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (PubChem CID 55569249) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
PubChem CID55569249
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2(O)CCCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C16H22N2O6S/c1-11-5-6-12(9-13(11)25(17,22)23)18-14(19)10-24-15(20)16(21)7-3-2-4-8-16/h5-6,9,21H,2-4,7-8,10H2,1H3,(H,18,19)(H2,17,22,23)
InChIKeyJSUVQIMRKAEEFW-UHFFFAOYSA-N
XLogP0.82
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate 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-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 26039851
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 30965722
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141062
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 55367935
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate
CID 55366679
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55701441
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
2-(2-iodophenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38879249
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 46684781
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56520446
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] adamantane-1-carboxylate
CID 4307596

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (CID 55569249) is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is Cc1ccc(NC(=O)COC(=O)C2(O)CCCCC2)cc1S(N)(=O)=O.
What is the InChIKey of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The InChIKey is JSUVQIMRKAEEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-11-5-6-12(9-13(11)25(17,22)23)18-14(19)10-24-15(20)16(21)7-3-2-4-8-16/h5-6,9,21H,2-4,7-8,10H2,1H3,(H,18,19)(H2,17,22,23).
What are the key properties of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 55569249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).