2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone

C17H19NOS — CID 106848103

IUPAC2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2ccc(CC)cn2)cc1
InChIInChI=1S/C17H19NOS/c1-3-13-5-8-15(18-12-13)11-17(19)14-6-9-16(10-7-14)20-4-2/h5-10,12H,3-4,11H2,1-2H3
InChIKeyYJGLEYQQTNXSFV-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.18
Rot. Bonds6

About 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone

2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone (PubChem CID 106848103) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
PubChem CID106848103
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2ccc(CC)cn2)cc1
InChIInChI=1S/C17H19NOS/c1-3-13-5-8-15(18-12-13)11-17(19)14-6-9-16(10-7-14)20-4-2/h5-10,12H,3-4,11H2,1-2H3
InChIKeyYJGLEYQQTNXSFV-UHFFFAOYSA-N
XLogP4.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847844
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116553891
1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 79746330
2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
CID 145231908
1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
CID 106847990
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111
2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 115786328
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273317
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847846

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone (CID 106848103) is 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone is CCSc1ccc(C(=O)Cc2ccc(CC)cn2)cc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone?
The InChIKey is YJGLEYQQTNXSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-13-5-8-15(18-12-13)11-17(19)14-6-9-16(10-7-14)20-4-2/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone?
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone has a molecular weight of 285.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone is sourced from PubChem (CID 106848103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).