[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate

C19H19FN2O4S — CID 7354990

IUPAC[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O4S/c1-12(26-18(24)11-27-17-6-4-3-5-16(17)20)19(25)22-15-9-7-14(8-10-15)21-13(2)23/h3-10,12H,11H2,1-2H3,(H,21,23)(H,22,25)/t12-/m0/s1
InChIKeyPYFHMZQYXDHAGD-LBPRGKRZSA-N
MW390.44 g/mol
LogP3.45
Rot. Bonds7

About [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7354990) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7354990
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O4S/c1-12(26-18(24)11-27-17-6-4-3-5-16(17)20)19(25)22-15-9-7-14(8-10-15)21-13(2)23/h3-10,12H,11H2,1-2H3,(H,21,23)(H,22,25)/t12-/m0/s1
InChIKeyPYFHMZQYXDHAGD-LBPRGKRZSA-N
XLogP3.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-Methylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2433040
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616604
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
1-Oxo-1-(phenylamino)-3-(phenylsulfonyl)butan-2-yl acetate
CID 663942
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2379715
[2-(2,5-Difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2381508
2-(2-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4792203
(2-Anilino-2-oxoethyl) 3-(benzenesulfonyl)propanoate
CID 9362063
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 16518927
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate
CID 24981565
(2-Anilino-2-oxoethyl) 3-phenylsulfanylpropanoate
CID 2382834
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate
CID 2387371

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate (CID 7354990) is [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate is CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccccc2F)cc1.
What is the InChIKey of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is PYFHMZQYXDHAGD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-12(26-18(24)11-27-17-6-4-3-5-16(17)20)19(25)22-15-9-7-14(8-10-15)21-13(2)23/h3-10,12H,11H2,1-2H3,(H,21,23)(H,22,25)/t12-/m0/s1.
What are the key properties of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 390.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7354990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).