[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate

C24H18FN3O3S — CID 55322904

IUPAC[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESO=C(CSc1cnc2ccccc2n1)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H18FN3O3S/c25-17-10-12-18(13-11-17)27-24(30)23(16-6-2-1-3-7-16)31-22(29)15-32-21-14-26-19-8-4-5-9-20(19)28-21/h1-14,23H,15H2,(H,27,30)
InChIKeyHKNOLGHDFBCHAD-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.78
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 55322904) has the molecular formula C24H18FN3O3S and a molecular weight of 447.49 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
PubChem CID55322904
Molecular FormulaC24H18FN3O3S
Molecular Weight447.49 g/mol
Exact Mass447.11
IUPAC Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESO=C(CSc1cnc2ccccc2n1)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H18FN3O3S/c25-17-10-12-18(13-11-17)27-24(30)23(16-6-2-1-3-7-16)31-22(29)15-32-21-14-26-19-8-4-5-9-20(19)28-21/h1-14,23H,15H2,(H,27,30)
InChIKeyHKNOLGHDFBCHAD-UHFFFAOYSA-N
XLogP4.78
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46825293
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794232
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
CID 42902056
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794162
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 33485557
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-methylpentanoate
CID 7848093
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794172
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate
CID 2646722
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
CID 78536179
N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide
CID 4054386
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 41071746
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
CID 2646591

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate (CID 55322904) is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate is O=C(CSc1cnc2ccccc2n1)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is HKNOLGHDFBCHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3S/c25-17-10-12-18(13-11-17)27-24(30)23(16-6-2-1-3-7-16)31-22(29)15-32-21-14-26-19-8-4-5-9-20(19)28-21/h1-14,23H,15H2,(H,27,30).
What are the key properties of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate?
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 447.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 55322904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).