[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate

C18H18ClNO3S — CID 55321562

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCC(NC(=O)COC(=O)CSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H18ClNO3S/c1-13(14-5-3-2-4-6-14)20-17(21)11-23-18(22)12-24-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeyJDIMSGMCINLVEB-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.85
Rot. Bonds7

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 55321562) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
PubChem CID55321562
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCC(NC(=O)COC(=O)CSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H18ClNO3S/c1-13(14-5-3-2-4-6-14)20-17(21)11-23-18(22)12-24-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeyJDIMSGMCINLVEB-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylsulfanylpropanoate
CID 16531163
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2364494
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7841039
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 55307356
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506457
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2348191
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-chlorophenyl)prop-2-enoate
CID 5148320
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 55509058
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321524

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate (CID 55321562) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate is CC(NC(=O)COC(=O)CSc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is JDIMSGMCINLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-13(14-5-3-2-4-6-14)20-17(21)11-23-18(22)12-24-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 363.87 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 55321562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).