2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide

C21H17FN2O3S — CID 50811535

IUPAC2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1
InChIInChI=1S/C21H17FN2O3S/c22-14-3-1-2-13(8-14)17-11-28-21-16(9-19(26)24-20(17)21)12-4-6-15(7-5-12)27-10-18(23)25/h1-8,11,16H,9-10H2,(H2,23,25)(H,24,26)
InChIKeyJMINEKVJHRWXAC-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.89
Rot. Bonds5

About 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide

2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide (PubChem CID 50811535) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
PubChem CID50811535
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1
InChIInChI=1S/C21H17FN2O3S/c22-14-3-1-2-13(8-14)17-11-28-21-16(9-19(26)24-20(17)21)12-4-6-15(7-5-12)27-10-18(23)25/h1-8,11,16H,9-10H2,(H2,23,25)(H,24,26)
InChIKeyJMINEKVJHRWXAC-UHFFFAOYSA-N
XLogP3.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide 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 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide (CID 50811535) is 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide is NC(=O)COc1ccc(C2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1.
What is the InChIKey of 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide?
The InChIKey is JMINEKVJHRWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c22-14-3-1-2-13(8-14)17-11-28-21-16(9-19(26)24-20(17)21)12-4-6-15(7-5-12)27-10-18(23)25/h1-8,11,16H,9-10H2,(H2,23,25)(H,24,26).
What are the key properties of 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide?
2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide has a molecular weight of 396.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide is sourced from PubChem (CID 50811535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).