[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate

C19H21NO4S — CID 8948060

IUPAC[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
SMILESCCOc1ccccc1NC(=O)[C@H](C)OC(=O)CSc1ccccc1
InChIInChI=1S/C19H21NO4S/c1-3-23-17-12-8-7-11-16(17)20-19(22)14(2)24-18(21)13-25-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyHDOUZVIZXYQMOG-AWEZNQCLSA-N
MW359.45 g/mol
LogP3.75
Rot. Bonds8

About [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate

[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate (PubChem CID 8948060) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate.

Molecular Properties

Compound Name[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
PubChem CID8948060
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
SMILESCCOc1ccccc1NC(=O)[C@H](C)OC(=O)CSc1ccccc1
InChIInChI=1S/C19H21NO4S/c1-3-23-17-12-8-7-11-16(17)20-19(22)14(2)24-18(21)13-25-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyHDOUZVIZXYQMOG-AWEZNQCLSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
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[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
CID 46621239
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550179
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 5116580
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738292
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
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[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate
CID 7903221
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885477
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417200
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549887

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate?
The IUPAC name of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate (CID 8948060) is [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate.
What is the SMILES notation for [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate?
The canonical SMILES for [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate is CCOc1ccccc1NC(=O)[C@H](C)OC(=O)CSc1ccccc1.
What is the InChIKey of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate?
The InChIKey is HDOUZVIZXYQMOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-3-23-17-12-8-7-11-16(17)20-19(22)14(2)24-18(21)13-25-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate?
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate has a molecular weight of 359.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate is sourced from PubChem (CID 8948060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).