[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate

C16H16N2O6S — CID 8987404

IUPAC[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESCS(=O)(=O)c1ccccc1NC(=O)COC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H16N2O6S/c1-25(22,23)13-7-3-2-6-12(13)17-14(19)11-24-16(21)10-18-9-5-4-8-15(18)20/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyBNIFUMSCNGMZJM-UHFFFAOYSA-N
MW364.38 g/mol
LogP0.43
Rot. Bonds6

About [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate

[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate (PubChem CID 8987404) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
PubChem CID8987404
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESCS(=O)(=O)c1ccccc1NC(=O)COC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H16N2O6S/c1-25(22,23)13-7-3-2-6-12(13)17-14(19)11-24-16(21)10-18-9-5-4-8-15(18)20/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyBNIFUMSCNGMZJM-UHFFFAOYSA-N
XLogP0.43
TPSA111.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8958204
[2-(2-methylsulfonylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 9310726
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986851
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309760
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8551082
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8638261
N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86840883
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063517
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632710
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632745
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986834
ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 8986965

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
The IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate (CID 8987404) is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
The canonical SMILES for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate is CS(=O)(=O)c1ccccc1NC(=O)COC(=O)Cn1ccccc1=O.
What is the InChIKey of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
The InChIKey is BNIFUMSCNGMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-25(22,23)13-7-3-2-6-12(13)17-14(19)11-24-16(21)10-18-9-5-4-8-15(18)20/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate has a molecular weight of 364.38 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 8987404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).