[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate

C19H20FNO5S — CID 9119695

IUPAC[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
SMILESCc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C19H20FNO5S/c1-13-3-7-16(8-4-13)27(24,25)10-9-19(23)26-12-18(22)21-17-11-15(20)6-5-14(17)2/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeySVWMGQKBFXFXBN-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.79
Rot. Bonds7

About [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate (PubChem CID 9119695) has the molecular formula C19H20FNO5S and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
PubChem CID9119695
Molecular FormulaC19H20FNO5S
Molecular Weight393.44 g/mol
Exact Mass393.10
IUPAC Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
SMILESCc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C19H20FNO5S/c1-13-3-7-16(8-4-13)27(24,25)10-9-19(23)26-12-18(22)21-17-11-15(20)6-5-14(17)2/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeySVWMGQKBFXFXBN-UHFFFAOYSA-N
XLogP2.79
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate (CID 9119695) is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate.
What is the SMILES notation for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The canonical SMILES for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate is Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(F)ccc2C)cc1.
What is the InChIKey of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The InChIKey is SVWMGQKBFXFXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5S/c1-13-3-7-16(8-4-13)27(24,25)10-9-19(23)26-12-18(22)21-17-11-15(20)6-5-14(17)2/h3-8,11H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate has a molecular weight of 393.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate is sourced from PubChem (CID 9119695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).