[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate

C22H18FNO4S — CID 2358318

IUPAC[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H18FNO4S/c23-17-10-4-6-12-19(17)27-15-22(26)28-14-21(25)24-18-11-5-7-13-20(18)29-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25)
InChIKeyYERZOUOHGWRKCD-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.54
Rot. Bonds8

About [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate

[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 2358318) has the molecular formula C22H18FNO4S and a molecular weight of 411.45 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate
PubChem CID2358318
Molecular FormulaC22H18FNO4S
Molecular Weight411.45 g/mol
Exact Mass411.09
IUPAC Name[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H18FNO4S/c23-17-10-4-6-12-19(17)27-15-22(26)28-14-21(25)24-18-11-5-7-13-20(18)29-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25)
InChIKeyYERZOUOHGWRKCD-UHFFFAOYSA-N
XLogP4.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(4-fluorophenyl)acetate
CID 7759345
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842438
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate
CID 8627359
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701050
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 55316488
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842381
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609898
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060515
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842405
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842388

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate (CID 2358318) is [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate is O=C(COC(=O)COc1ccccc1F)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is YERZOUOHGWRKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO4S/c23-17-10-4-6-12-19(17)27-15-22(26)28-14-21(25)24-18-11-5-7-13-20(18)29-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25).
What are the key properties of [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 411.45 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 2358318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).