[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate

C17H14F3NO3S — CID 2370618

IUPAC[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C17H14F3NO3S/c18-14-4-2-1-3-11(14)9-16(23)24-10-15(22)21-12-5-7-13(8-6-12)25-17(19)20/h1-8,17H,9-10H2,(H,21,22)
InChIKeyUIYSWMPVFYORSM-UHFFFAOYSA-N
MW369.36 g/mol
LogP3.86
Rot. Bonds7

About [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2370618) has the molecular formula C17H14F3NO3S and a molecular weight of 369.36 g/mol. Its IUPAC name is [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2370618
Molecular FormulaC17H14F3NO3S
Molecular Weight369.36 g/mol
Exact Mass369.06
IUPAC Name[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C17H14F3NO3S/c18-14-4-2-1-3-11(14)9-16(23)24-10-15(22)21-12-5-7-13(8-6-12)25-17(19)20/h1-8,17H,9-10H2,(H,21,22)
InChIKeyUIYSWMPVFYORSM-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2368139
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
[2-(3-Methylsulfanylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 9110341
1-(2-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
CID 2389343
2-(Phenylmethyl)benzoic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester
CID 2407431
1-(4-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
CID 2418189
[2-Oxo-2-(2-phenylsulfanylanilino)ethyl] 3-cyclopentylpropanoate
CID 3382235
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2392760
[2-(4-Fluoroanilino)-2-oxoethyl] 2-phenylacetate
CID 2335247
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-phenylacetate
CID 2090918
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-phenylbutanoate
CID 4208027

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2370618) is [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate is O=C(COC(=O)Cc1ccccc1F)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is UIYSWMPVFYORSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3S/c18-14-4-2-1-3-11(14)9-16(23)24-10-15(22)21-12-5-7-13(8-6-12)25-17(19)20/h1-8,17H,9-10H2,(H,21,22).
What are the key properties of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 369.36 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2370618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).