3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one

C21H22N2OS — CID 118723635

IUPAC3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one
SMILESCN(C)c1c(Sc2ccccc2)cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C21H22N2OS/c1-23(2)20-19(25-18-11-7-4-8-12-18)15-17(22-21(20)24)14-13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyXSUDAATXQQEPHJ-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.38
Rot. Bonds6

About 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one

3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one (PubChem CID 118723635) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one
PubChem CID118723635
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one
SMILESCN(C)c1c(Sc2ccccc2)cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C21H22N2OS/c1-23(2)20-19(25-18-11-7-4-8-12-18)15-17(22-21(20)24)14-13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyXSUDAATXQQEPHJ-UHFFFAOYSA-N
XLogP4.38
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one (CID 118723635) is 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one is CN(C)c1c(Sc2ccccc2)cc(CCc2ccccc2)[nH]c1=O.
What is the InChIKey of 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one?
The InChIKey is XSUDAATXQQEPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-23(2)20-19(25-18-11-7-4-8-12-18)15-17(22-21(20)24)14-13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one?
3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one has a molecular weight of 350.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6-(2-phenylethyl)-4-phenylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 118723635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).