N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide

C15H10BrFN2O2S — CID 46396051

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESO=C(Cn1ccc2sccc2c1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrFN2O2S/c16-9-1-2-12(11(17)7-9)18-14(20)8-19-5-3-13-10(15(19)21)4-6-22-13/h1-7H,8H2,(H,18,20)
InChIKeyAVGRHFHYHNQEIJ-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.60
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 46396051) has the molecular formula C15H10BrFN2O2S and a molecular weight of 381.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID46396051
Molecular FormulaC15H10BrFN2O2S
Molecular Weight381.23 g/mol
Exact Mass379.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESO=C(Cn1ccc2sccc2c1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrFN2O2S/c16-9-1-2-12(11(17)7-9)18-14(20)8-19-5-3-13-10(15(19)21)4-6-22-13/h1-7H,8H2,(H,18,20)
InChIKeyAVGRHFHYHNQEIJ-UHFFFAOYSA-N
XLogP3.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide 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

N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
N-(3-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396043
5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985658
N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115912011
N-(2,4-difluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46395963
N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396038
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 75433251
N-(4-bromo-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 4786503
N-(4-bromo-2-fluorophenyl)-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 46290304

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide (CID 46396051) is N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide is O=C(Cn1ccc2sccc2c1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is AVGRHFHYHNQEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2S/c16-9-1-2-12(11(17)7-9)18-14(20)8-19-5-3-13-10(15(19)21)4-6-22-13/h1-7H,8H2,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 381.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 46396051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).