4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide

C17H14N4O4S — CID 41246750

IUPAC4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
SMILESO=C(NCCOc1ccc(-c2cccs2)nn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14N4O4S/c22-17(12-3-5-13(6-4-12)21(23)24)18-9-10-25-16-8-7-14(19-20-16)15-2-1-11-26-15/h1-8,11H,9-10H2,(H,18,22)
InChIKeyYUNZCPKRTVSWON-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.92
Rot. Bonds7

About 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide

4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide (PubChem CID 41246750) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
PubChem CID41246750
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC Name4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
SMILESO=C(NCCOc1ccc(-c2cccs2)nn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14N4O4S/c22-17(12-3-5-13(6-4-12)21(23)24)18-9-10-25-16-8-7-14(19-20-16)15-2-1-11-26-15/h1-8,11H,9-10H2,(H,18,22)
InChIKeyYUNZCPKRTVSWON-UHFFFAOYSA-N
XLogP2.92
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246812
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41247009
4,5-dimethoxy-2-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246788
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 26845120
4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 27564835
8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide
CID 41246831
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
CID 121051123
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-nitrobenzamide
CID 90546827
7-hydroxy-N-[2-(4-nitrophenoxy)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628156
N-[2-(2-bromoethoxy)ethyl]-4-nitrobenzamide
CID 114309382
1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
CID 121072092
4-nitro-N-(2-phenylmethoxyethyl)benzamide
CID 99818504

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide?
The IUPAC name of 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide (CID 41246750) is 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide.
What is the SMILES notation for 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide?
The canonical SMILES for 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide is O=C(NCCOc1ccc(-c2cccs2)nn1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide?
The InChIKey is YUNZCPKRTVSWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c22-17(12-3-5-13(6-4-12)21(23)24)18-9-10-25-16-8-7-14(19-20-16)15-2-1-11-26-15/h1-8,11H,9-10H2,(H,18,22).
What are the key properties of 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide?
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide has a molecular weight of 370.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide is sourced from PubChem (CID 41246750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).