[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate

C19H18F2N2O6S — CID 3286515

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)C=Cc1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H18F2N2O6S/c20-19(21)29-16-9-5-4-8-15(16)23-17(24)13-28-18(25)12-22-30(26,27)11-10-14-6-2-1-3-7-14/h1-11,19,22H,12-13H2,(H,23,24)
InChIKeyRYZQQCAYOXTDBA-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.36
Rot. Bonds10

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate (PubChem CID 3286515) has the molecular formula C19H18F2N2O6S and a molecular weight of 440.42 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate
PubChem CID3286515
Molecular FormulaC19H18F2N2O6S
Molecular Weight440.42 g/mol
Exact Mass440.09
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)C=Cc1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H18F2N2O6S/c20-19(21)29-16-9-5-4-8-15(16)23-17(24)13-28-18(25)12-22-30(26,27)11-10-14-6-2-1-3-7-14/h1-11,19,22H,12-13H2,(H,23,24)
InChIKeyRYZQQCAYOXTDBA-UHFFFAOYSA-N
XLogP2.36
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826957
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 42460546
[2-(2-acetylanilino)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18281560
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 9292365
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8892232
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 29200606
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
N-(2-fluorophenyl)-2-[[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42766043
2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112779682
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821391

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate (CID 3286515) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate is O=C(COC(=O)CNS(=O)(=O)C=Cc1ccccc1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate?
The InChIKey is RYZQQCAYOXTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O6S/c20-19(21)29-16-9-5-4-8-15(16)23-17(24)13-28-18(25)12-22-30(26,27)11-10-14-6-2-1-3-7-14/h1-11,19,22H,12-13H2,(H,23,24).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate has a molecular weight of 440.42 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate is sourced from PubChem (CID 3286515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).