phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate

C23H20FNO6S — CID 2357304

IUPACphenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate
SMILESCN(c1ccc(OCC(=O)OCC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO6S/c1-25(32(28,29)21-13-7-18(24)8-14-21)19-9-11-20(12-10-19)30-16-23(27)31-15-22(26)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
InChIKeyUIIBSVVLQMOAHQ-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.46
Rot. Bonds9

About phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate

phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate (PubChem CID 2357304) has the molecular formula C23H20FNO6S and a molecular weight of 457.48 g/mol. Its IUPAC name is phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate.

Molecular Properties

Compound Namephenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate
PubChem CID2357304
Molecular FormulaC23H20FNO6S
Molecular Weight457.48 g/mol
Exact Mass457.10
IUPAC Namephenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate
SMILESCN(c1ccc(OCC(=O)OCC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO6S/c1-25(32(28,29)21-13-7-18(24)8-14-21)19-9-11-20(12-10-19)30-16-23(27)31-15-22(26)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
InChIKeyUIIBSVVLQMOAHQ-UHFFFAOYSA-N
XLogP3.46
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458334
[2-(2-nitroanilino)-2-oxoethyl] 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate
CID 4830706
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate
CID 23884453
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46788854
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30405340
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23992871
N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide
CID 4825814
4-fluoro-N-methyl-N-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]phenyl]benzenesulfonamide
CID 2078108
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
[2-(4-fluorophenyl)-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514831
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2598584
2-(4-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 42989226

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate?
The IUPAC name of phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate (CID 2357304) is phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate.
What is the SMILES notation for phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate?
The canonical SMILES for phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate is CN(c1ccc(OCC(=O)OCC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate?
The InChIKey is UIIBSVVLQMOAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO6S/c1-25(32(28,29)21-13-7-18(24)8-14-21)19-9-11-20(12-10-19)30-16-23(27)31-15-22(26)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3.
What are the key properties of phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate?
phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate has a molecular weight of 457.48 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate is sourced from PubChem (CID 2357304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).