[2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate

C20H22N2O4S — CID 7352738

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CSc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-4-9-18(10-14(13)2)27-12-20(25)26-11-19(24)22-17-7-5-16(6-8-17)21-15(3)23/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDMKZAVDMTRVHHK-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.54
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate (PubChem CID 7352738) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
PubChem CID7352738
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CSc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-4-9-18(10-14(13)2)27-12-20(25)26-11-19(24)22-17-7-5-16(6-8-17)21-15(3)23/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDMKZAVDMTRVHHK-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-Methylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2433040
N-[4-(acetylamino)phenyl]-2-[(4-methylphenyl)thio]acetamide
CID 893690
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2604388
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7352664
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24687965
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate
CID 24981565
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 24982738
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 25163598
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 24981886
2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2591522
[1-(4-Methylanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 4385553
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinyl)phenyl]acetamide
CID 2382755

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate (CID 7352738) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate is CC(=O)Nc1ccc(NC(=O)COC(=O)CSc2ccc(C)c(C)c2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate?
The InChIKey is DMKZAVDMTRVHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-4-9-18(10-14(13)2)27-12-20(25)26-11-19(24)22-17-7-5-16(6-8-17)21-15(3)23/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate has a molecular weight of 386.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 7352738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).