ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate

C15H17NO5S — CID 134918508

IUPACethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)C=CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO5S/c1-3-21-15(18)14-10-12(17)8-9-16(14)22(19,20)13-6-4-11(2)5-7-13/h4-9,14H,3,10H2,1-2H3/t14-/m1/s1
InChIKeyMWYRAGRCXSCQCK-CQSZACIVSA-N
MW323.37 g/mol
LogP1.40
Rot. Bonds4

About ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate

ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate (PubChem CID 134918508) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
PubChem CID134918508
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Nameethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)C=CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO5S/c1-3-21-15(18)14-10-12(17)8-9-16(14)22(19,20)13-6-4-11(2)5-7-13/h4-9,14H,3,10H2,1-2H3/t14-/m1/s1
InChIKeyMWYRAGRCXSCQCK-CQSZACIVSA-N
XLogP1.40
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 59342383
ethyl (2S,3S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 10544922
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
ethyl (2R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 10470830
ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate
CID 58819942
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-4-one
CID 11689079
ethyl (2S)-1-tert-butylsulfinyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 101442910
ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate
CID 59342392
6-O-tert-butyl 5-O-ethyl (5S)-1-(4-methylphenyl)sulfonyl-7-oxo-1,6-diazaspiro[2.4]heptane-5,6-dicarboxylate
CID 87802774
6-O-tert-butyl 5-O-ethyl (3S,5R)-1-(4-methylphenyl)sulfonyl-7-oxo-1,6-diazaspiro[2.4]heptane-5,6-dicarboxylate
CID 89319904
ethyl 2-(4-methylphenyl)sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 10917091
[(5S)-5-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-7-oxo-1,6-diazaspiro[2.4]heptan-6-yl]-methylborinic acid
CID 59205747

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate (CID 134918508) is ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate is CCOC(=O)[C@H]1CC(=O)C=CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The InChIKey is MWYRAGRCXSCQCK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-3-21-15(18)14-10-12(17)8-9-16(14)22(19,20)13-6-4-11(2)5-7-13/h4-9,14H,3,10H2,1-2H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate is sourced from PubChem (CID 134918508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).