[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate

C19H17F2NO4S — CID 7812600

IUPAC[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
SMILESC[C@@H](OC(=O)CSCC(=O)Nc1ccccc1F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2NO4S/c1-12(19(25)13-6-8-14(20)9-7-13)26-18(24)11-27-10-17(23)22-16-5-3-2-4-15(16)21/h2-9,12H,10-11H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyLDTRNYGWDVWRKX-GFCCVEGCSA-N
MW393.41 g/mol
LogP3.45
Rot. Bonds8

About [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate (PubChem CID 7812600) has the molecular formula C19H17F2NO4S and a molecular weight of 393.41 g/mol. Its IUPAC name is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
PubChem CID7812600
Molecular FormulaC19H17F2NO4S
Molecular Weight393.41 g/mol
Exact Mass393.08
IUPAC Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
SMILESC[C@@H](OC(=O)CSCC(=O)Nc1ccccc1F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2NO4S/c1-12(19(25)13-6-8-14(20)9-7-13)26-18(24)11-27-10-17(23)22-16-5-3-2-4-15(16)21/h2-9,12H,10-11H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyLDTRNYGWDVWRKX-GFCCVEGCSA-N
XLogP3.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812585
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812479
methyl 4-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate
CID 7812614
benzyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812607
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 9301491
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 8601192
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812214
(4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812602
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide
CID 9476134

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate (CID 7812600) is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The canonical SMILES for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate is C[C@@H](OC(=O)CSCC(=O)Nc1ccccc1F)C(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The InChIKey is LDTRNYGWDVWRKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F2NO4S/c1-12(19(25)13-6-8-14(20)9-7-13)26-18(24)11-27-10-17(23)22-16-5-3-2-4-15(16)21/h2-9,12H,10-11H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate has a molecular weight of 393.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 7812600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).