cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate

C17H24N2O5S — CID 72896018

IUPACcyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate
SMILESCCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-2-25(22,23)12-11-18-17(21)19-14-9-7-13(8-10-14)16(20)24-15-5-3-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H2,18,19,21)
InChIKeyXIGIZDBYHGVODJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.34
Rot. Bonds7

About cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate

cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate (PubChem CID 72896018) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate.

Molecular Properties

Compound Namecyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate
PubChem CID72896018
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Namecyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate
SMILESCCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-2-25(22,23)12-11-18-17(21)19-14-9-7-13(8-10-14)16(20)24-15-5-3-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H2,18,19,21)
InChIKeyXIGIZDBYHGVODJ-UHFFFAOYSA-N
XLogP2.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)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

cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate
CID 72864824
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate
CID 72925955
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
CID 17128650
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-[(2-phenylacetyl)amino]benzoate
CID 682571
ethyl 4-[2-(methanesulfonamido)ethylcarbamoylamino]benzoate
CID 74241298

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate?
The IUPAC name of cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate (CID 72896018) is cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate.
What is the SMILES notation for cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate?
The canonical SMILES for cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate is CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1.
What is the InChIKey of cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate?
The InChIKey is XIGIZDBYHGVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-2-25(22,23)12-11-18-17(21)19-14-9-7-13(8-10-14)16(20)24-15-5-3-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H2,18,19,21).
What are the key properties of cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate?
cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate has a molecular weight of 368.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate is sourced from PubChem (CID 72896018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).