2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine

C21H17NOS — CID 143138105

IUPAC2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
SMILESCCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C21H17NOS/c1-2-18-12-19-20(13-22-14-21(19)24-18)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,2H2,1H3
InChIKeyGTXRARZOAOLLFE-UHFFFAOYSA-N
MW331.44 g/mol
LogP6.32
Rot. Bonds4

About 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine

2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine (PubChem CID 143138105) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
PubChem CID143138105
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
SMILESCCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C21H17NOS/c1-2-18-12-19-20(13-22-14-21(19)24-18)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,2H2,1H3
InChIKeyGTXRARZOAOLLFE-UHFFFAOYSA-N
XLogP6.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
Thieno[2,3-c]pyridine-2-carboxylic acid,4-([1,1'-biphenyl]-4-yloxy)-
CID 25218753
5-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-1H-1,2,3,4-tetrazole
CID 25218754
4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9900816
4-p-Tolyloxy-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9878930
4-(4-Isopropyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9922793
4-(4-Ethyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9944101
4-(Biphenyl-4-yloxy)-thieno[2,3-c]pyridine-2-carboxylic acid methylamide
CID 9946991
4-(4-tert-Butyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9967126
4-(4-Octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
CID 10221525
(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine
CID 136503386
6-fluoro-2-[(5-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137636260

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
The IUPAC name of 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine (CID 143138105) is 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine.
What is the SMILES notation for 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
The canonical SMILES for 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine is CCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
The InChIKey is GTXRARZOAOLLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS/c1-2-18-12-19-20(13-22-14-21(19)24-18)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,2H2,1H3.
What are the key properties of 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine has a molecular weight of 331.44 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine is sourced from PubChem (CID 143138105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).