[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate

C21H23FN2O6S — CID 3875813

IUPAC[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23FN2O6S/c22-18-9-2-3-10-19(18)29-15-21(26)30-14-20(25)23-16-7-6-8-17(13-16)31(27,28)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,23,25)
InChIKeyMFSBZLYAGHOLBO-UHFFFAOYSA-N
MW450.49 g/mol
LogP2.56
Rot. Bonds8

About [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate

[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 3875813) has the molecular formula C21H23FN2O6S and a molecular weight of 450.49 g/mol. Its IUPAC name is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
PubChem CID3875813
Molecular FormulaC21H23FN2O6S
Molecular Weight450.49 g/mol
Exact Mass450.13
IUPAC Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23FN2O6S/c22-18-9-2-3-10-19(18)29-15-21(26)30-14-20(25)23-16-7-6-8-17(13-16)31(27,28)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,23,25)
InChIKeyMFSBZLYAGHOLBO-UHFFFAOYSA-N
XLogP2.56
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate (CID 3875813) is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate is O=C(COC(=O)COc1ccccc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is MFSBZLYAGHOLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O6S/c22-18-9-2-3-10-19(18)29-15-21(26)30-14-20(25)23-16-7-6-8-17(13-16)31(27,28)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,23,25).
What are the key properties of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 450.49 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 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] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 3875813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).