N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C16H12BrN3O2S — CID 6499066

IUPACN-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O2S/c17-11-3-5-12(6-4-11)18-15(21)10-20-16(22)8-7-13(19-20)14-2-1-9-23-14/h1-9H,10H2,(H,18,21)
InChIKeyJMDLNBSTCFFGEV-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.37
Rot. Bonds4

About N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 6499066) has the molecular formula C16H12BrN3O2S and a molecular weight of 390.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID6499066
Molecular FormulaC16H12BrN3O2S
Molecular Weight390.26 g/mol
Exact Mass388.98
IUPAC NameN-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O2S/c17-11-3-5-12(6-4-11)18-15(21)10-20-16(22)8-7-13(19-20)14-2-1-9-23-14/h1-9H,10H2,(H,18,21)
InChIKeyJMDLNBSTCFFGEV-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-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-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 6499077
N-(4-bromo-3,5-dimethylphenyl)-2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamide
CID 6499078
N-(4-bromophenyl)-2-[3-methyl-6-oxo-5-(thiophen-3-ylmethyl)pyridazin-1-yl]acetamide
CID 71699059
N-(4-bromophenyl)-2-[3-methyl-6-oxo-5-(thiophen-2-ylmethyl)pyridazin-1-yl]acetamide
CID 71699060
2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 5349916
[(1R)-1-[[2-(4-bromo-N-prop-2-enoylanilino)acetyl]amino]-2-thiophen-2-ylethyl]boronic acid
CID 140880217
N-(4-bromophenyl)-2-[4-(thien-2-ylcarbonyl)piperazin-1-yl]acetamide
CID 3239561
N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 7659576
N-(2-fluorophenyl)-4-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]butanamide
CID 25854453
N-(3,4-difluorophenyl)-4-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]butanamide
CID 25854456
N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 7659537
N-(4-bromophenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849544

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 6499066) is N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is JMDLNBSTCFFGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2S/c17-11-3-5-12(6-4-11)18-15(21)10-20-16(22)8-7-13(19-20)14-2-1-9-23-14/h1-9H,10H2,(H,18,21).
What are the key properties of N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 390.26 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 6499066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).