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

C18H18ClNO3S — CID 25163249

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C18H18ClNO3S/c19-15-6-8-16(9-7-15)24-13-18(22)23-12-17(21)20-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21)
InChIKeyXHRXYPDTVBSIGP-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.33
Rot. Bonds8

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

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 25163249) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
PubChem CID25163249
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C18H18ClNO3S/c19-15-6-8-16(9-7-15)24-13-18(22)23-12-17(21)20-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21)
InChIKeyXHRXYPDTVBSIGP-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2357308
[2-(Benzylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2081530
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2339636
[2-(Cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2379633
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2432823
[2-[2-(2,4-Dichlorophenyl)ethylamino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2455655
[2-(Cyclohexylmethylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2458106
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 5213585
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24979827
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24982764
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate
CID 25163664
[2-(Benzylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 4788393

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate (CID 25163249) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate is O=C(COC(=O)CSc1ccc(Cl)cc1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is XHRXYPDTVBSIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c19-15-6-8-16(9-7-15)24-13-18(22)23-12-17(21)20-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 363.87 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 25163249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).