[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

C19H20FNO3S — CID 7355111

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C19H20FNO3S/c1-3-14-8-6-7-13(2)19(14)21-17(22)11-24-18(23)12-25-16-10-5-4-9-15(16)20/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeySKMLDPDPSZGWPE-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.97
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355111) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355111
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C19H20FNO3S/c1-3-14-8-6-7-13(2)19(14)21-17(22)11-24-18(23)12-25-16-10-5-4-9-15(16)20/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeySKMLDPDPSZGWPE-UHFFFAOYSA-N
XLogP3.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355111) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is CCc1cccc(C)c1NC(=O)COC(=O)CSc1ccccc1F.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is SKMLDPDPSZGWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-3-14-8-6-7-13(2)19(14)21-17(22)11-24-18(23)12-25-16-10-5-4-9-15(16)20/h4-10H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 361.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).