4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine

C20H19NOS — CID 142740939

IUPAC4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine
SMILESCOc1ccc(-c2ccnc(C)c2Sc2ccc(C)cc2)cc1
InChIInChI=1S/C20H19NOS/c1-14-4-10-18(11-5-14)23-20-15(2)21-13-12-19(20)16-6-8-17(22-3)9-7-16/h4-13H,1-3H3
InChIKeyBWTNYUMMLLYGBO-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.53
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine

4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine (PubChem CID 142740939) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine
PubChem CID142740939
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine
SMILESCOc1ccc(-c2ccnc(C)c2Sc2ccc(C)cc2)cc1
InChIInChI=1S/C20H19NOS/c1-14-4-10-18(11-5-14)23-20-15(2)21-13-12-19(20)16-6-8-17(22-3)9-7-16/h4-13H,1-3H3
InChIKeyBWTNYUMMLLYGBO-UHFFFAOYSA-N
XLogP5.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
CID 135008910
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole
CID 23731442
4-(4-methoxyphenyl)sulfanyl-3,5-dimethyl-1H-pyrazole
CID 139234715
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine
CID 122229440
[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine
CID 55155886
1-(113C)methoxy-4-methylbenzene
CID 166176950
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine
CID 66848885
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole
CID 12832321
2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde
CID 164894115

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine (CID 142740939) is 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine is COc1ccc(-c2ccnc(C)c2Sc2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine?
The InChIKey is BWTNYUMMLLYGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-14-4-10-18(11-5-14)23-20-15(2)21-13-12-19(20)16-6-8-17(22-3)9-7-16/h4-13H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine?
4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine has a molecular weight of 321.45 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine is sourced from PubChem (CID 142740939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).