2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one

C17H19NO2S — CID 102925420

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2cc(C)cc(C)n2)cc1
InChIInChI=1S/C17H19NO2S/c1-11-9-12(2)18-16(10-11)21-13(3)17(19)14-5-7-15(20-4)8-6-14/h5-10,13H,1-4H3
InChIKeyWMGSUGRIYMSJQQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.07
Rot. Bonds5

About 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one (PubChem CID 102925420) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
PubChem CID102925420
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2cc(C)cc(C)n2)cc1
InChIInChI=1S/C17H19NO2S/c1-11-9-12(2)18-16(10-11)21-13(3)17(19)14-5-7-15(20-4)8-6-14/h5-10,13H,1-4H3
InChIKeyWMGSUGRIYMSJQQ-UHFFFAOYSA-N
XLogP4.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135585314
1-(2,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-1-one
CID 102925385
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43413679
(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755097
2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224881
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 102924691
2-(3,4-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224954
(2R)-1-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7556826
2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43232307
(2S)-1-(4-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 51682190
(2R)-1-(4-methoxyphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 7820557
1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one
CID 166402330

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one (CID 102925420) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)Sc2cc(C)cc(C)n2)cc1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is WMGSUGRIYMSJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11-9-12(2)18-16(10-11)21-13(3)17(19)14-5-7-15(20-4)8-6-14/h5-10,13H,1-4H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 301.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 102925420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).