methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate

C19H22N2O6S — CID 97257924

IUPACmethyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)N(C)[C@](C)(C(=O)OC)c2ccccn2)c1
InChIInChI=1S/C19H22N2O6S/c1-13-9-10-14(17(22)26-4)12-15(13)28(24,25)21(3)19(2,18(23)27-5)16-8-6-7-11-20-16/h6-12H,1-5H3/t19-/m0/s1
InChIKeyCGYXXZKSHODNNH-IBGZPJMESA-N
MW406.46 g/mol
LogP1.89
Rot. Bonds6

About methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate

methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate (PubChem CID 97257924) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate
PubChem CID97257924
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Namemethyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)N(C)[C@](C)(C(=O)OC)c2ccccn2)c1
InChIInChI=1S/C19H22N2O6S/c1-13-9-10-14(17(22)26-4)12-15(13)28(24,25)21(3)19(2,18(23)27-5)16-8-6-7-11-20-16/h6-12H,1-5H3/t19-/m0/s1
InChIKeyCGYXXZKSHODNNH-IBGZPJMESA-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 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate with MolForge

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Related Compounds

methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate
CID 97257917
methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate
CID 97257920
methyl 3-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-4-methylbenzoate
CID 115902782
methyl 3-pyridin-2-ylsulfonylbenzoate
CID 66872637
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
methyl 3-[(3-fluorophenyl)methyl-methylsulfamoyl]-4-methylbenzoate
CID 99606757
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid
CID 18663499
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
methyl 4-methylbenzoate;4-methyl-3-sulfobenzoic acid
CID 91259632
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 4289965

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate?
The IUPAC name of methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate (CID 97257924) is methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate is COC(=O)c1ccc(C)c(S(=O)(=O)N(C)[C@](C)(C(=O)OC)c2ccccn2)c1.
What is the InChIKey of methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate?
The InChIKey is CGYXXZKSHODNNH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-13-9-10-14(17(22)26-4)12-15(13)28(24,25)21(3)19(2,18(23)27-5)16-8-6-7-11-20-16/h6-12H,1-5H3/t19-/m0/s1.
What are the key properties of methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate?
methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-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 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 97257924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).