1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one

C19H23NO5S — CID 167428794

IUPAC1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2OCC2(C)COC2)cn(C)c1=O
InChIInChI=1S/C19H23NO5S/c1-13-7-14(9-20(3)18(13)21)16-8-15(26(4,22)23)5-6-17(16)25-12-19(2)10-24-11-19/h5-9H,10-12H2,1-4H3
InChIKeyFXNFVSUMTLHKFU-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.18
Rot. Bonds5

About 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one

1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one (PubChem CID 167428794) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one
PubChem CID167428794
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2OCC2(C)COC2)cn(C)c1=O
InChIInChI=1S/C19H23NO5S/c1-13-7-14(9-20(3)18(13)21)16-8-15(26(4,22)23)5-6-17(16)25-12-19(2)10-24-11-19/h5-9H,10-12H2,1-4H3
InChIKeyFXNFVSUMTLHKFU-UHFFFAOYSA-N
XLogP2.18
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-[3-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one
CID 118021945
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228
5-[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022586
[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]-(2-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)methanone
CID 118479441
5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one
CID 118028193
5-[2-(cyclopropylmethoxy)-5-ethylsulfinylphenyl]-1,3-dimethylpyridin-2-one;hydrate
CID 144832809
1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
CID 118021347
4-(2-ethoxy-5-methylsulfonylphenyl)-2-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 118021678
1,3-dimethyl-5-[5-[(R)-methylsulfinyl]-2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one
CID 134311126
5-(3-but-2-ynoxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022597
5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one
CID 123351635

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one (CID 167428794) is 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one is Cc1cc(-c2cc(S(C)(=O)=O)ccc2OCC2(C)COC2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one?
The InChIKey is FXNFVSUMTLHKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13-7-14(9-20(3)18(13)21)16-8-15(26(4,22)23)5-6-17(16)25-12-19(2)10-24-11-19/h5-9H,10-12H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one?
1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one has a molecular weight of 377.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one is sourced from PubChem (CID 167428794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).