[2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate

C18H19FN2O5S — CID 8508447

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCc1ccccc1N(CC(=O)OCC(=O)Nc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H19FN2O5S/c1-13-7-3-6-10-16(13)21(27(2,24)25)11-18(23)26-12-17(22)20-15-9-5-4-8-14(15)19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeySAVUIFYDCXHZSM-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.08
Rot. Bonds7

About [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate

[2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate (PubChem CID 8508447) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
PubChem CID8508447
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCc1ccccc1N(CC(=O)OCC(=O)Nc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H19FN2O5S/c1-13-7-3-6-10-16(13)21(27(2,24)25)11-18(23)26-12-17(22)20-15-9-5-4-8-14(15)19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeySAVUIFYDCXHZSM-UHFFFAOYSA-N
XLogP2.08
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate (CID 8508447) is [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate is Cc1ccccc1N(CC(=O)OCC(=O)Nc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The InChIKey is SAVUIFYDCXHZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-13-7-3-6-10-16(13)21(27(2,24)25)11-18(23)26-12-17(22)20-15-9-5-4-8-14(15)19/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
[2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate has a molecular weight of 394.42 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 8508447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).