methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate

C19H22N2O6S — CID 97257917

IUPACmethyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)[C@@](C)(C(=O)OC)c2ccccn2)ccc1C
InChIInChI=1S/C19H22N2O6S/c1-13-9-10-14(12-15(13)17(22)26-4)28(24,25)21(3)19(2,18(23)27-5)16-8-6-7-11-20-16/h6-12H,1-5H3/t19-/m1/s1
InChIKeyWDFISNKJFHCXEY-LJQANCHMSA-N
MW406.46 g/mol
LogP1.89
Rot. Bonds6

About methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate

methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate (PubChem CID 97257917) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate
PubChem CID97257917
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Namemethyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)[C@@](C)(C(=O)OC)c2ccccn2)ccc1C
InChIInChI=1S/C19H22N2O6S/c1-13-9-10-14(12-15(13)17(22)26-4)28(24,25)21(3)19(2,18(23)27-5)16-8-6-7-11-20-16/h6-12H,1-5H3/t19-/m1/s1
InChIKeyWDFISNKJFHCXEY-LJQANCHMSA-N
XLogP1.89
TPSA102.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate with MolForge

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Related Compounds

methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate
CID 97257924
methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate
CID 97257920
methyl 2-methyl-5-[methyl(phenyl)sulfamoyl]benzoate
CID 95970846
methyl 2-methyl-5-[phenyl(pyridin-3-yl)sulfamoyl]benzoate
CID 91296881
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230
methyl 5-[bromo(phenyl)sulfamoyl]-2-methylbenzoate
CID 91135602
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
phenyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 8765368
methyl 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]benzoate
CID 78830595
methyl 5-[(4-tert-butylphenyl)sulfanyl-ethylsulfamoyl]-2-methylbenzoate
CID 87745404
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41083114
methyl 2-methyl-5-[(5-methyl-1,3-benzoxazol-2-yl)-propylsulfamoyl]benzoate
CID 90756042

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate (CID 97257917) is methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate is COC(=O)c1cc(S(=O)(=O)N(C)[C@@](C)(C(=O)OC)c2ccccn2)ccc1C.
What is the InChIKey of methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate?
The InChIKey is WDFISNKJFHCXEY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-13-9-10-14(12-15(13)17(22)26-4)28(24,25)21(3)19(2,18(23)27-5)16-8-6-7-11-20-16/h6-12H,1-5H3/t19-/m1/s1.
What are the key properties of methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate?
methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate has a molecular weight of 406.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 97257917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).