[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

C18H26N2O5S — CID 5094837

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCCC(C)C2C)c1
InChIInChI=1S/C18H26N2O5S/c1-12-6-4-9-16(13(12)2)20-17(21)11-25-18(22)14-7-5-8-15(10-14)26(23,24)19-3/h5,7-8,10,12-13,16,19H,4,6,9,11H2,1-3H3,(H,20,21)
InChIKeyMOCIMLAHUCCGHA-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.69
Rot. Bonds6

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 5094837) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID5094837
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCCC(C)C2C)c1
InChIInChI=1S/C18H26N2O5S/c1-12-6-4-9-16(13(12)2)20-17(21)11-25-18(22)14-7-5-8-15(10-14)26(23,24)19-3/h5,7-8,10,12-13,16,19H,4,6,9,11H2,1-3H3,(H,20,21)
InChIKeyMOCIMLAHUCCGHA-UHFFFAOYSA-N
XLogP1.69
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate 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-(Cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2095647
[2-(Cyclopentylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2097778
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2346486
[2-(Benzylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2363961
Methyl 1-[2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3367827
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3566939
[2-(Cyclopropylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3896394
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 4845870
[2-(Benzylamino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2346668
[2-(Benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2363938
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2417632

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 5094837) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCCC(C)C2C)c1.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is MOCIMLAHUCCGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-12-6-4-9-16(13(12)2)20-17(21)11-25-18(22)14-7-5-8-15(10-14)26(23,24)19-3/h5,7-8,10,12-13,16,19H,4,6,9,11H2,1-3H3,(H,20,21).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 382.48 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 5094837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).