[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate

C18H19NO3S — CID 2616578

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCc1cccc(NC(=O)COC(=O)CSc2ccccc2)c1C
InChIInChI=1S/C18H19NO3S/c1-13-7-6-10-16(14(13)2)19-17(20)11-22-18(21)12-23-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyJBXVKMOTLGVWPC-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.58
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate (PubChem CID 2616578) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
PubChem CID2616578
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCc1cccc(NC(=O)COC(=O)CSc2ccccc2)c1C
InChIInChI=1S/C18H19NO3S/c1-13-7-6-10-16(14(13)2)19-17(20)11-22-18(21)12-23-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyJBXVKMOTLGVWPC-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-Methylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2433040
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7352664
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 25163598
(2-Anilino-2-oxoethyl) 3-phenylsulfanylpropanoate
CID 2382834
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2392760
[1-(4-Methylanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 4385553
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 4803825
[2-(3-ethylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648199
[2-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-benzylsulfanylacetate
CID 8902785
[2-(5-Fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 9119695
[1-(2-Methylanilino)-1-oxopropan-2-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 25162012
N-(2,3-dimethylphenyl)-3-(phenylthio)propanamide
CID 895557

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate (CID 2616578) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate is Cc1cccc(NC(=O)COC(=O)CSc2ccccc2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The InChIKey is JBXVKMOTLGVWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13-7-6-10-16(14(13)2)19-17(20)11-22-18(21)12-23-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate has a molecular weight of 329.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate is sourced from PubChem (CID 2616578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).