[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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Related Compounds

3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
CID 4916037
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4066620
2-(2-fluorophenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4381780
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 16247877
N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615770
N-(4-(Aminosulfonyl)phenyl)-2-(4-fluorophenoxy)acetamide
CID 716578
3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-sulfonic acid amide
CID 615071

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).