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

C16H12N4O4S — CID 7659562

IUPACN-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N4O4S/c21-15(17-11-3-5-12(6-4-11)20(23)24)10-19-16(22)8-7-13(18-19)14-2-1-9-25-14/h1-9H,10H2,(H,17,21)
InChIKeyUEUDPTYLPAVYND-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.52
Rot. Bonds5

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

N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 7659562) has the molecular formula C16H12N4O4S and a molecular weight of 356.36 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID7659562
Molecular FormulaC16H12N4O4S
Molecular Weight356.36 g/mol
Exact Mass356.06
IUPAC NameN-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N4O4S/c21-15(17-11-3-5-12(6-4-11)20(23)24)10-19-16(22)8-7-13(18-19)14-2-1-9-25-14/h1-9H,10H2,(H,17,21)
InChIKeyUEUDPTYLPAVYND-UHFFFAOYSA-N
XLogP2.52
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-nitrophenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 7659562) is N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is UEUDPTYLPAVYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S/c21-15(17-11-3-5-12(6-4-11)20(23)24)10-19-16(22)8-7-13(18-19)14-2-1-9-25-14/h1-9H,10H2,(H,17,21).
What are the key properties of N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 356.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 7659562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).