ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate

C16H21ClN2O5S — CID 51193856

IUPACethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O5S/c1-2-24-16(21)19-9-7-13(8-10-19)18-15(20)11-25(22,23)14-5-3-12(17)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,18,20)
InChIKeyHEVHFODJNDGUDS-UHFFFAOYSA-N
MW388.87 g/mol
LogP1.85
Rot. Bonds5

About ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate (PubChem CID 51193856) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate
PubChem CID51193856
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Nameethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O5S/c1-2-24-16(21)19-9-7-13(8-10-19)18-15(20)11-25(22,23)14-5-3-12(17)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,18,20)
InChIKeyHEVHFODJNDGUDS-UHFFFAOYSA-N
XLogP1.85
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-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

ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542176
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]piperazine-1-carboxylate
CID 41024904
ethyl 4-[[3-(3-chloro-4-fluoroanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950255
ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 24554008
ethyl 4-[[2-(5-chloro-1,3-dioxoisoindol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 113201492
ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 17409577
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
ethyl 4-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108524123

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate (CID 51193856) is ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate?
The InChIKey is HEVHFODJNDGUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c1-2-24-16(21)19-9-7-13(8-10-19)18-15(20)11-25(22,23)14-5-3-12(17)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,18,20).
What are the key properties of ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate has a molecular weight of 388.87 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 51193856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).