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

C20H21NO5S — CID 2640600

IUPAC[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21NO5S/c22-19(15-26-20(23)17-7-3-1-4-8-17)16-9-11-18(12-10-16)27(24,25)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-15H2
InChIKeyLOJYRNLYLKPJFJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.90
Rot. Bonds6

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

[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate (PubChem CID 2640600) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate
PubChem CID2640600
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21NO5S/c22-19(15-26-20(23)17-7-3-1-4-8-17)16-9-11-18(12-10-16)27(24,25)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-15H2
InChIKeyLOJYRNLYLKPJFJ-UHFFFAOYSA-N
XLogP2.90
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate (CID 2640600) is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate is O=C(COC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate?
The InChIKey is LOJYRNLYLKPJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c22-19(15-26-20(23)17-7-3-1-4-8-17)16-9-11-18(12-10-16)27(24,25)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-15H2.
What are the key properties of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate?
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate has a molecular weight of 387.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] benzoate is sourced from PubChem (CID 2640600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).