5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one

C22H25NO4S — CID 123723955

IUPAC5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOS(C)(O)c1cc(OCc2ccccc2)cc(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C22H25NO4S/c1-16-10-19(14-23(2)22(16)24)18-11-20(13-21(12-18)28(4,25)26-3)27-15-17-8-6-5-7-9-17/h5-14,25H,15H2,1-4H3
InChIKeyPKTZDUNAKIFDTE-UHFFFAOYSA-N
MW399.51 g/mol
LogP4.77
Rot. Bonds6

About 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one

5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 123723955) has the molecular formula C22H25NO4S and a molecular weight of 399.51 g/mol. Its IUPAC name is 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one
PubChem CID123723955
Molecular FormulaC22H25NO4S
Molecular Weight399.51 g/mol
Exact Mass399.15
IUPAC Name5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOS(C)(O)c1cc(OCc2ccccc2)cc(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C22H25NO4S/c1-16-10-19(14-23(2)22(16)24)18-11-20(13-21(12-18)28(4,25)26-3)27-15-17-8-6-5-7-9-17/h5-14,25H,15H2,1-4H3
InChIKeyPKTZDUNAKIFDTE-UHFFFAOYSA-N
XLogP4.77
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one
CID 146534965
1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
CID 118021347
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
6-bromo-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 161223377
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
phenoxymethylbenzene;sulfuric acid
CID 68982967
1-methyl-4-phenylmethoxypyrrol-2-ol
CID 134892520
5-(4-benzyl-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-1,3-dimethylpyridin-2-one
CID 149362896
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one (CID 123723955) is 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one is COS(C)(O)c1cc(OCc2ccccc2)cc(-c2cc(C)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is PKTZDUNAKIFDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4S/c1-16-10-19(14-23(2)22(16)24)18-11-20(13-21(12-18)28(4,25)26-3)27-15-17-8-6-5-7-9-17/h5-14,25H,15H2,1-4H3.
What are the key properties of 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one?
5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 399.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 123723955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).