2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one

C17H19NOS — CID 75850905

IUPAC2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)Sc2ccccn2)cc1C
InChIInChI=1S/C17H19NOS/c1-11-9-13(3)15(10-12(11)2)17(19)14(4)20-16-7-5-6-8-18-16/h5-10,14H,1-4H3
InChIKeyMAHRAUXMHPCGAV-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.37
Rot. Bonds4

About 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one

2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one (PubChem CID 75850905) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
PubChem CID75850905
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)Sc2ccccn2)cc1C
InChIInChI=1S/C17H19NOS/c1-11-9-13(3)15(10-12(11)2)17(19)14(4)20-16-7-5-6-8-18-16/h5-10,14H,1-4H3
InChIKeyMAHRAUXMHPCGAV-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylpropan-1-one
CID 60603755
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
(2S)-2-(1-methylimidazol-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 40608607
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one
CID 51141770
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 4102205
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one
CID 55368773
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one?
The IUPAC name of 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one (CID 75850905) is 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)C(C)Sc2ccccn2)cc1C.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one?
The InChIKey is MAHRAUXMHPCGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-11-9-13(3)15(10-12(11)2)17(19)14(4)20-16-7-5-6-8-18-16/h5-10,14H,1-4H3.
What are the key properties of 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one?
2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one has a molecular weight of 285.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one is sourced from PubChem (CID 75850905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).