[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate

C20H22N2O6S — CID 3513769

IUPAC[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22N2O6S/c23-17-9-7-15(8-10-17)20(25)28-14-19(24)21-16-5-4-6-18(13-16)29(26,27)22-11-2-1-3-12-22/h4-10,13,23H,1-3,11-12,14H2,(H,21,24)
InChIKeyINNSVTOMNRPJFG-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.36
Rot. Bonds6

About [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate

[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate (PubChem CID 3513769) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate
PubChem CID3513769
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22N2O6S/c23-17-9-7-15(8-10-17)20(25)28-14-19(24)21-16-5-4-6-18(13-16)29(26,27)22-11-2-1-3-12-22/h4-10,13,23H,1-3,11-12,14H2,(H,21,24)
InChIKeyINNSVTOMNRPJFG-UHFFFAOYSA-N
XLogP2.36
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate (CID 3513769) is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate?
The InChIKey is INNSVTOMNRPJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c23-17-9-7-15(8-10-17)20(25)28-14-19(24)21-16-5-4-6-18(13-16)29(26,27)22-11-2-1-3-12-22/h4-10,13,23H,1-3,11-12,14H2,(H,21,24).
What are the key properties of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate?
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate has a molecular weight of 418.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate is sourced from PubChem (CID 3513769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).