[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate

C21H24N2O4S — CID 7675948

IUPAC[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H24N2O4S/c1-13-5-10-19(14(2)11-13)28-12-20(25)27-15(3)21(26)23-18-8-6-17(7-9-18)22-16(4)24/h5-11,15H,12H2,1-4H3,(H,22,24)(H,23,26)/t15-/m1/s1
InChIKeyXHBMTIAPIIOIQJ-OAHLLOKOSA-N
MW400.50 g/mol
LogP3.92
Rot. Bonds7

About [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate (PubChem CID 7675948) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate
PubChem CID7675948
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H24N2O4S/c1-13-5-10-19(14(2)11-13)28-12-20(25)27-15(3)21(26)23-18-8-6-17(7-9-18)22-16(4)24/h5-11,15H,12H2,1-4H3,(H,22,24)(H,23,26)/t15-/m1/s1
InChIKeyXHBMTIAPIIOIQJ-OAHLLOKOSA-N
XLogP3.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate 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-Oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2604388
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2616433
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 16527759
[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-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 24982863
[1-(4-Methylanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 4385553
[2-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-benzylsulfanylacetate
CID 8902785
[2-(5-Fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 9119695
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16291915
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-[(3-chlorophenyl)methylsulfanyl]acetate
CID 24686173

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate (CID 7675948) is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate is CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc(C)cc2C)cc1.
What is the InChIKey of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The InChIKey is XHBMTIAPIIOIQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-13-5-10-19(14(2)11-13)28-12-20(25)27-15(3)21(26)23-18-8-6-17(7-9-18)22-16(4)24/h5-11,15H,12H2,1-4H3,(H,22,24)(H,23,26)/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate?
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate has a molecular weight of 400.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 7675948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).