1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one

C17H19NOS — CID 79746277

IUPAC1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
SMILESCCc1ccc(CC(=O)CSc2cccc(C)c2)nc1
InChIInChI=1S/C17H19NOS/c1-3-14-7-8-15(18-11-14)10-16(19)12-20-17-6-4-5-13(2)9-17/h4-9,11H,3,10,12H2,1-2H3
InChIKeyAKQHGZAGDLRMBY-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.86
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one

1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one (PubChem CID 79746277) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
PubChem CID79746277
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
SMILESCCc1ccc(CC(=O)CSc2cccc(C)c2)nc1
InChIInChI=1S/C17H19NOS/c1-3-14-7-8-15(18-11-14)10-16(19)12-20-17-6-4-5-13(2)9-17/h4-9,11H,3,10,12H2,1-2H3
InChIKeyAKQHGZAGDLRMBY-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one (CID 79746277) is 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one is CCc1ccc(CC(=O)CSc2cccc(C)c2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The InChIKey is AKQHGZAGDLRMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-14-7-8-15(18-11-14)10-16(19)12-20-17-6-4-5-13(2)9-17/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one has a molecular weight of 285.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 79746277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).