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

C19H20FNO3S — CID 7352778

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C19H20FNO3S/c1-12-4-7-17(14(3)8-12)25-11-19(23)24-10-18(22)21-15-6-5-13(2)16(20)9-15/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeySUUOQTJWYGYXQV-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.02
Rot. Bonds6

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

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (PubChem CID 7352778) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
PubChem CID7352778
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C19H20FNO3S/c1-12-4-7-17(14(3)8-12)25-11-19(23)24-10-18(22)21-15-6-5-13(2)16(20)9-15/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeySUUOQTJWYGYXQV-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-Methylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2433040
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616604
[2-(2,5-Difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2381508
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2616433
[2-Oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 2642206
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24687965
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 25163598
[1-(4-Methylanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 4385553
[2-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-benzylsulfanylacetate
CID 8902785
[2-(2,3-Dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616578
[2-(5-Fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 9119695
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 2479351

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (CID 7352778) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate is Cc1ccc(SCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)c(C)c1.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The InChIKey is SUUOQTJWYGYXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-12-4-7-17(14(3)8-12)25-11-19(23)24-10-18(22)21-15-6-5-13(2)16(20)9-15/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate has a molecular weight of 361.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 7352778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).