[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate

C21H23NO6S — CID 25162518

IUPAC[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H23NO6S/c23-20(15-28-21(24)16-27-18-7-3-1-4-8-18)17-9-11-19(12-10-17)29(25,26)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-16H2
InChIKeyFZFSDNBQRRVMFW-UHFFFAOYSA-N
MW417.48 g/mol
LogP2.67
Rot. Bonds8

About [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate

[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate (PubChem CID 25162518) has the molecular formula C21H23NO6S and a molecular weight of 417.48 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate
PubChem CID25162518
Molecular FormulaC21H23NO6S
Molecular Weight417.48 g/mol
Exact Mass417.12
IUPAC Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H23NO6S/c23-20(15-28-21(24)16-27-18-7-3-1-4-8-18)17-9-11-19(12-10-17)29(25,26)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-16H2
InChIKeyFZFSDNBQRRVMFW-UHFFFAOYSA-N
XLogP2.67
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate (CID 25162518) is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate is O=C(COc1ccccc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate?
The InChIKey is FZFSDNBQRRVMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6S/c23-20(15-28-21(24)16-27-18-7-3-1-4-8-18)17-9-11-19(12-10-17)29(25,26)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-16H2.
What are the key properties of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate?
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate has a molecular weight of 417.48 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenoxyacetate is sourced from PubChem (CID 25162518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).