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

C23H25NO7S — CID 4853667

IUPAC[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H25NO7S/c1-17(25)18-5-9-20(10-6-18)30-16-23(27)31-15-22(26)19-7-11-21(12-8-19)32(28,29)24-13-3-2-4-14-24/h5-12H,2-4,13-16H2,1H3
InChIKeySRWUWTMDFNHHNW-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.87
Rot. Bonds9

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

[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate (PubChem CID 4853667) has the molecular formula C23H25NO7S and a molecular weight of 459.52 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate
PubChem CID4853667
Molecular FormulaC23H25NO7S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H25NO7S/c1-17(25)18-5-9-20(10-6-18)30-16-23(27)31-15-22(26)19-7-11-21(12-8-19)32(28,29)24-13-3-2-4-14-24/h5-12H,2-4,13-16H2,1H3
InChIKeySRWUWTMDFNHHNW-UHFFFAOYSA-N
XLogP2.87
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate 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-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate (CID 4853667) is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate?
The InChIKey is SRWUWTMDFNHHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO7S/c1-17(25)18-5-9-20(10-6-18)30-16-23(27)31-15-22(26)19-7-11-21(12-8-19)32(28,29)24-13-3-2-4-14-24/h5-12H,2-4,13-16H2,1H3.
What are the key properties of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate?
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate has a molecular weight of 459.52 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 4853667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).