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

C19H21NO3S — CID 25163664

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-7-9-17(10-8-15)24-14-19(22)23-13-18(21)20-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyHYAYSEJXIDPPTO-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.99
Rot. Bonds8

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

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate (PubChem CID 25163664) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate
PubChem CID25163664
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-7-9-17(10-8-15)24-14-19(22)23-13-18(21)20-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyHYAYSEJXIDPPTO-UHFFFAOYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
[2-(Benzylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2357308
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
[2-(Cycloheptylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24687520
N-Phenethyl-2-phenylsulfanyl-acetamide
CID 846686
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]acetamide
CID 2175467
[2-(Benzylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 2352571
[2-(Cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2353564
2-(Cyclopropylamino)-2-oxoethyl 2-(naphthalen-2-ylthio)acetate
CID 2356473
[2-(Cyclohexylmethylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2458106
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 3888275

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate (CID 25163664) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate is Cc1ccc(SCC(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate?
The InChIKey is HYAYSEJXIDPPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15-7-9-17(10-8-15)24-14-19(22)23-13-18(21)20-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate has a molecular weight of 343.45 g/mol, XLogP of 2.99, 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-methylphenyl)sulfanylacetate is sourced from PubChem (CID 25163664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).