3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine

C20H19NOS — CID 45269415

IUPAC3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine
SMILESCOc1ccc(C(Sc2ccccc2C)c2cccnc2)cc1
InChIInChI=1S/C20H19NOS/c1-15-6-3-4-8-19(15)23-20(17-7-5-13-21-14-17)16-9-11-18(22-2)12-10-16/h3-14,20H,1-2H3
InChIKeyPMJSBVQQYXXWGS-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.28
Rot. Bonds5

About 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine

3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine (PubChem CID 45269415) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine
PubChem CID45269415
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine
SMILESCOc1ccc(C(Sc2ccccc2C)c2cccnc2)cc1
InChIInChI=1S/C20H19NOS/c1-15-6-3-4-8-19(15)23-20(17-7-5-13-21-14-17)16-9-11-18(22-2)12-10-16/h3-14,20H,1-2H3
InChIKeyPMJSBVQQYXXWGS-UHFFFAOYSA-N
XLogP5.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine
CID 45270243
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 81407563
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-bromo-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene
CID 134849370
ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
CID 91259984
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
2-(4-methoxyanilino)-2-pyridin-3-ylacetamide
CID 54889099
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine
CID 22300049

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine?
The IUPAC name of 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine (CID 45269415) is 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine is COc1ccc(C(Sc2ccccc2C)c2cccnc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine?
The InChIKey is PMJSBVQQYXXWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-15-6-3-4-8-19(15)23-20(17-7-5-13-21-14-17)16-9-11-18(22-2)12-10-16/h3-14,20H,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine?
3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine has a molecular weight of 321.45 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-(2-methylphenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 45269415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).