[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate

C19H18Cl2N2O4S — CID 4842399

IUPAC[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O4S/c1-23(10-17(24)22-16-5-3-2-4-15(16)21)18(25)11-27-19(26)12-28-14-8-6-13(20)7-9-14/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyJNDXEUUKRLIXGI-UHFFFAOYSA-N
MW441.34 g/mol
LogP3.73
Rot. Bonds8

About [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate

[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 4842399) has the molecular formula C19H18Cl2N2O4S and a molecular weight of 441.34 g/mol. Its IUPAC name is [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
PubChem CID4842399
Molecular FormulaC19H18Cl2N2O4S
Molecular Weight441.34 g/mol
Exact Mass440.04
IUPAC Name[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O4S/c1-23(10-17(24)22-16-5-3-2-4-15(16)21)18(25)11-27-19(26)12-28-14-8-6-13(20)7-9-14/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyJNDXEUUKRLIXGI-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate with MolForge

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Related Compounds

2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 4786408
2-[(4-Chlorophenyl)sulfonyl-methylamino]acetic acid (2-anilino-2-oxoethyl) ester
CID 2363156
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2379715
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 4783361
[2-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-(benzenesulfonyl)propanoate
CID 24980391
[2-[[2-(2-Chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24981037
(2-Anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate
CID 2524592
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 3640767
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 5958443
N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 9409709
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide
CID 2091420

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate (CID 4842399) is [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate is CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is JNDXEUUKRLIXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4S/c1-23(10-17(24)22-16-5-3-2-4-15(16)21)18(25)11-27-19(26)12-28-14-8-6-13(20)7-9-14/h2-9H,10-12H2,1H3,(H,22,24).
What are the key properties of [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 441.34 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 4842399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).