7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine

C20H14FNO3S2 — CID 141137493

IUPAC7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(Oc4ccccc4F)c3s2)cc1
InChIInChI=1S/C20H14FNO3S2/c1-27(23,24)14-8-6-13(7-9-14)19-12-16-20(26-19)18(10-11-22-16)25-17-5-3-2-4-15(17)21/h2-12H,1H3
InChIKeyKKHQSZIQWXHCKZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.30
Rot. Bonds4

About 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine

7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine (PubChem CID 141137493) has the molecular formula C20H14FNO3S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
PubChem CID141137493
Molecular FormulaC20H14FNO3S2
Molecular Weight399.47 g/mol
Exact Mass399.04
IUPAC Name7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(Oc4ccccc4F)c3s2)cc1
InChIInChI=1S/C20H14FNO3S2/c1-27(23,24)14-8-6-13(7-9-14)19-12-16-20(26-19)18(10-11-22-16)25-17-5-3-2-4-15(17)21/h2-12H,1H3
InChIKeyKKHQSZIQWXHCKZ-UHFFFAOYSA-N
XLogP5.30
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-[2-[3-fluoro-4-[2-[4-[(2-methylsulfonylethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone
CID 158172986
7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine
CID 59424420
1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 173140942
3-fluoro-4-[2-[4-(pyrazol-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 67348260
2-chloro-N-[[4-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-methylethanamine
CID 88584050
1-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione
CID 158930925
3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 141490421
2-[3,4-bis(3-chloropropoxy)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 66649121
7-(4-amino-2-fluorophenoxy)-N-methoxythieno[3,2-b]pyridine-2-sulfonamide
CID 89360799
5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole
CID 23145540
2-[4-(chloromethyl)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;hexan-2-one
CID 123568430
7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine
CID 23156538

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine?
The IUPAC name of 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine (CID 141137493) is 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine?
The canonical SMILES for 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine is CS(=O)(=O)c1ccc(-c2cc3nccc(Oc4ccccc4F)c3s2)cc1.
What is the InChIKey of 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine?
The InChIKey is KKHQSZIQWXHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S2/c1-27(23,24)14-8-6-13(7-9-14)19-12-16-20(26-19)18(10-11-22-16)25-17-5-3-2-4-15(17)21/h2-12H,1H3.
What are the key properties of 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine?
7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine has a molecular weight of 399.47 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 141137493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).