[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate

C20H28ClN3O6S — CID 16521793

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H28ClN3O6S/c1-3-24(4-2)31(28,29)15-10-11-17(21)16(12-15)19(26)30-13-18(25)23-20(27)22-14-8-6-5-7-9-14/h10-12,14H,3-9,13H2,1-2H3,(H2,22,23,25,27)
InChIKeyUNEYKDHOEIUIOK-UHFFFAOYSA-N
MW473.98 g/mol
LogP2.69
Rot. Bonds8

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate (PubChem CID 16521793) has the molecular formula C20H28ClN3O6S and a molecular weight of 473.98 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
PubChem CID16521793
Molecular FormulaC20H28ClN3O6S
Molecular Weight473.98 g/mol
Exact Mass473.14
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H28ClN3O6S/c1-3-24(4-2)31(28,29)15-10-11-17(21)16(12-15)19(26)30-13-18(25)23-20(27)22-14-8-6-5-7-9-14/h10-12,14H,3-9,13H2,1-2H3,(H2,22,23,25,27)
InChIKeyUNEYKDHOEIUIOK-UHFFFAOYSA-N
XLogP2.69
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)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-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521153
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510081
[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902029
[2-(cyclohexylamino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510844
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518395
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510318
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2642873
[2-(dimethylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 7981376
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2634309
[2-(4-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510257
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620254
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
CID 92645599

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate (CID 16521793) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The InChIKey is UNEYKDHOEIUIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O6S/c1-3-24(4-2)31(28,29)15-10-11-17(21)16(12-15)19(26)30-13-18(25)23-20(27)22-14-8-6-5-7-9-14/h10-12,14H,3-9,13H2,1-2H3,(H2,22,23,25,27).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate has a molecular weight of 473.98 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 16521793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).