[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate

C22H18FNO3S — CID 7842743

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C22H18FNO3S/c23-17-10-7-11-18(14-17)24-20(25)15-27-22(26)21(16-8-3-1-4-9-16)28-19-12-5-2-6-13-19/h1-14,21H,15H2,(H,24,25)/t21-/m1/s1
InChIKeyQQEDAGLNPQPCAD-OAQYLSRUSA-N
MW395.46 g/mol
LogP4.84
Rot. Bonds7

About [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate

[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 7842743) has the molecular formula C22H18FNO3S and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
PubChem CID7842743
Molecular FormulaC22H18FNO3S
Molecular Weight395.46 g/mol
Exact Mass395.10
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C22H18FNO3S/c23-17-10-7-11-18(14-17)24-20(25)15-27-22(26)21(16-8-3-1-4-9-16)28-19-12-5-2-6-13-19/h1-14,21H,15H2,(H,24,25)/t21-/m1/s1
InChIKeyQQEDAGLNPQPCAD-OAQYLSRUSA-N
XLogP4.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842927
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-phenyl-2-phenylsulfanylacetate
CID 4159737
[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46661250
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887341
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8938898
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842774
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
CID 9372367
[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821265
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2389381
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 29142837
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616777
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821252

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate (CID 7842743) is [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate is O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is QQEDAGLNPQPCAD-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18FNO3S/c23-17-10-7-11-18(14-17)24-20(25)15-27-22(26)21(16-8-3-1-4-9-16)28-19-12-5-2-6-13-19/h1-14,21H,15H2,(H,24,25)/t21-/m1/s1.
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 395.46 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 7842743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).