2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine

C23H25NO2S — CID 66666797

IUPAC2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine
SMILESCc1cc(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2ccccc2C)ccn1
InChIInChI=1S/C23H25NO2S/c1-17-6-4-5-7-22(17)23(13-8-19-14-15-24-18(2)16-19)20-9-11-21(12-10-20)27(3,25)26/h4-7,9-12,14-16,23H,8,13H2,1-3H3/t23-/m1/s1
InChIKeyWHLYSEOQCSOQSB-HSZRJFAPSA-N
MW379.53 g/mol
LogP4.87
Rot. Bonds6

About 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine

2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine (PubChem CID 66666797) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine
PubChem CID66666797
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine
SMILESCc1cc(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2ccccc2C)ccn1
InChIInChI=1S/C23H25NO2S/c1-17-6-4-5-7-22(17)23(13-8-19-14-15-24-18(2)16-19)20-9-11-21(12-10-20)27(3,25)26/h4-7,9-12,14-16,23H,8,13H2,1-3H3/t23-/m1/s1
InChIKeyWHLYSEOQCSOQSB-HSZRJFAPSA-N
XLogP4.87
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-(4-methylsulfonylphenyl)propylidene]hydroxylamine
CID 173039118
1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-1-[3-(4-methylsulfonylphenyl)phenyl]propan-2-one
CID 123612473
3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-(3-methylsulfonylphenyl)propan-1-one
CID 66666321
1-(4-chloro-2-methylphenyl)-3-(2-methyl-4-pyridinyl)-1-(4-methylsulfonylphenyl)propan-2-one
CID 77160266
3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
CID 67015695
(1R)-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-ol
CID 67015665
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
4-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-nitrosopropyl]-2-methylpyridine
CID 91898731
3-[4-[1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-oxopropyl]phenyl]azetidine-1-sulfonamide
CID 66668660
5-[(Z)-N-hydroxy-C-[2-(2-methylphenyl)-2-(4-methylsulfonylphenyl)ethyl]carbonimidoyl]-1-methylpyrimidin-2-one
CID 87097902
1-methyl-5-[3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propanoyl]pyridin-2-one
CID 66668194
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine?
The IUPAC name of 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine (CID 66666797) is 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine.
What is the SMILES notation for 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine?
The canonical SMILES for 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine is Cc1cc(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2ccccc2C)ccn1.
What is the InChIKey of 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine?
The InChIKey is WHLYSEOQCSOQSB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-17-6-4-5-7-22(17)23(13-8-19-14-15-24-18(2)16-19)20-9-11-21(12-10-20)27(3,25)26/h4-7,9-12,14-16,23H,8,13H2,1-3H3/t23-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine?
2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine has a molecular weight of 379.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine is sourced from PubChem (CID 66666797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).