1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone

C18H15NO2S — CID 174443968

IUPAC1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(OCc3ccccc3)cs2)nc1
InChIInChI=1S/C18H15NO2S/c1-13(20)15-7-8-17(19-10-15)18-9-16(12-22-18)21-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyBCDVFJQACXQLJO-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.59
Rot. Bonds5

About 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone

1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone (PubChem CID 174443968) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone
PubChem CID174443968
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(OCc3ccccc3)cs2)nc1
InChIInChI=1S/C18H15NO2S/c1-13(20)15-7-8-17(19-10-15)18-9-16(12-22-18)21-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyBCDVFJQACXQLJO-UHFFFAOYSA-N
XLogP4.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone (CID 174443968) is 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2cc(OCc3ccccc3)cs2)nc1.
What is the InChIKey of 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone?
The InChIKey is BCDVFJQACXQLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-13(20)15-7-8-17(19-10-15)18-9-16(12-22-18)21-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone?
1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone has a molecular weight of 309.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 174443968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).