1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

C20H20ClN3O5S2 — CID 55510679

IUPAC1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C20H20ClN3O5S2/c1-13(18-22-23-19(29-18)17-5-3-11-30-17)28-20(25)14-4-2-10-24(12-14)31(26,27)16-8-6-15(21)7-9-16/h3,5-9,11,13-14H,2,4,10,12H2,1H3
InChIKeyXQJUQGMAANFFIU-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.16
Rot. Bonds6

About 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 55510679) has the molecular formula C20H20ClN3O5S2 and a molecular weight of 481.98 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
PubChem CID55510679
Molecular FormulaC20H20ClN3O5S2
Molecular Weight481.98 g/mol
Exact Mass481.05
IUPAC Name1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C20H20ClN3O5S2/c1-13(18-22-23-19(29-18)17-5-3-11-30-17)28-20(25)14-4-2-10-24(12-14)31(26,27)16-8-6-15(21)7-9-16/h3,5-9,11,13-14H,2,4,10,12H2,1H3
InChIKeyXQJUQGMAANFFIU-UHFFFAOYSA-N
XLogP4.16
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate with MolForge

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Related Compounds

[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 41173428
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 46824430
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-(cyclopropylsulfamoyl)benzoate
CID 43032165
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463089
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7697811
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 55510457
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 55391927
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,4-dichlorobenzoate
CID 7716323
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,2-diphenylacetate
CID 7699767
2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 55390032

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate (CID 55510679) is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate is CC(OC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1nnc(-c2cccs2)o1.
What is the InChIKey of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is XQJUQGMAANFFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5S2/c1-13(18-22-23-19(29-18)17-5-3-11-30-17)28-20(25)14-4-2-10-24(12-14)31(26,27)16-8-6-15(21)7-9-16/h3,5-9,11,13-14H,2,4,10,12H2,1H3.
What are the key properties of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 481.98 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 55510679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).