(2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one

C20H21NO5S — CID 134872121

IUPAC(2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2[C@H](O)C=CC(=O)[C@@H]2COCc2ccccc2)cc1
InChIInChI=1S/C20H21NO5S/c1-15-7-9-17(10-8-15)27(24,25)21-18(19(22)11-12-20(21)23)14-26-13-16-5-3-2-4-6-16/h2-12,18,20,23H,13-14H2,1H3/t18-,20+/m0/s1
InChIKeyOABJJXZRSGFSIN-AZUAARDMSA-N
MW387.46 g/mol
LogP2.03
Rot. Bonds6

About (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one

(2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one (PubChem CID 134872121) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name(2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one
PubChem CID134872121
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name(2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2[C@H](O)C=CC(=O)[C@@H]2COCc2ccccc2)cc1
InChIInChI=1S/C20H21NO5S/c1-15-7-9-17(10-8-15)27(24,25)21-18(19(22)11-12-20(21)23)14-26-13-16-5-3-2-4-6-16/h2-12,18,20,23H,13-14H2,1H3/t18-,20+/m0/s1
InChIKeyOABJJXZRSGFSIN-AZUAARDMSA-N
XLogP2.03
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,6S)-6-hydroxy-1-(4-methylphenyl)sulfonyl-3-oxo-2,6-dihydropyridin-2-yl]methyl 2,2-dimethylpropanoate
CID 56651485
(2R,5S)-3-methyl-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-5-propan-2-yl-2,5-dihydropyrrole
CID 101360457
[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(2-phenylmethoxyethyl)aziridin-2-yl]methanol
CID 102469621
[(2R,6S)-5-methyl-1-(4-methylphenyl)sulfonyl-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridin-2-yl]methyl methanesulfonate
CID 10672351
1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,5-dihydropyrrole
CID 101056779
N-[(1S,3S)-3,8-dimethoxy-2-(4-methylphenyl)sulfonyl-4-oxo-1-(phenylmethoxymethyl)-1,3-dihydroisoquinolin-7-yl]acetamide
CID 10744964
[(1R,3R)-7-methoxy-6-methyl-2-(4-methylphenyl)sulfonyl-8-phenylmethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanol
CID 10817165
(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-4-iodo-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one
CID 56651489
(1R,3S)-3,7-dimethoxy-6-methyl-2-(4-methylphenyl)sulfonyl-8-phenylmethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline
CID 10841100
1-(4-methylphenyl)sulfonyl-4-(3-phenylmethoxypropyl)piperidine
CID 162402953
methyl (2S)-2-[(2R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-3-oxo-2,6-dihydropyridin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 102480024
(4S,5S)-4-methyl-5-(phenylmethoxymethyl)cyclopent-2-en-1-one
CID 58620301

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one?
The IUPAC name of (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one (CID 134872121) is (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one.
What is the SMILES notation for (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one?
The canonical SMILES for (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one is Cc1ccc(S(=O)(=O)N2[C@H](O)C=CC(=O)[C@@H]2COCc2ccccc2)cc1.
What is the InChIKey of (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one?
The InChIKey is OABJJXZRSGFSIN-AZUAARDMSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-15-7-9-17(10-8-15)27(24,25)21-18(19(22)11-12-20(21)23)14-26-13-16-5-3-2-4-6-16/h2-12,18,20,23H,13-14H2,1H3/t18-,20+/m0/s1.
What are the key properties of (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one?
(2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one has a molecular weight of 387.46 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethyl)-2,6-dihydropyridin-3-one is sourced from PubChem (CID 134872121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).