[2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate

C19H21NO3S — CID 24687514

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
SMILESCCc1cccc(NC(=O)COC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C19H21NO3S/c1-3-15-5-4-6-16(11-15)20-18(21)12-23-19(22)13-24-17-9-7-14(2)8-10-17/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyCJIPRDDPBABPGT-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.83
Rot. Bonds7

About [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate

[2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate (PubChem CID 24687514) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
PubChem CID24687514
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
SMILESCCc1cccc(NC(=O)COC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C19H21NO3S/c1-3-15-5-4-6-16(11-15)20-18(21)12-23-19(22)13-24-17-9-7-14(2)8-10-17/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyCJIPRDDPBABPGT-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2433040
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616604
N-[4-(acetylamino)phenyl]-2-[(4-methylphenyl)thio]acetamide
CID 893690
[2-(2,5-Difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2381508
[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-Anilino-2-oxoethyl) 3-(benzenesulfonyl)propanoate
CID 9362063
[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
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 24981951
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 24982738

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate (CID 24687514) is [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate is CCc1cccc(NC(=O)COC(=O)CSc2ccc(C)cc2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate?
The InChIKey is CJIPRDDPBABPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-3-15-5-4-6-16(11-15)20-18(21)12-23-19(22)13-24-17-9-7-14(2)8-10-17/h4-11H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate?
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate has a molecular weight of 343.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate is sourced from PubChem (CID 24687514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).