5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide

C15H12BrN3O3S — CID 41246804

IUPAC5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide
SMILESO=C(NCCOc1ccc(-c2cccs2)nn1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O3S/c16-13-5-4-11(22-13)15(20)17-7-8-21-14-6-3-10(18-19-14)12-2-1-9-23-12/h1-6,9H,7-8H2,(H,17,20)
InChIKeyDRXUCYJXSLHJFM-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.37
Rot. Bonds6

About 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide

5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide (PubChem CID 41246804) has the molecular formula C15H12BrN3O3S and a molecular weight of 394.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide
PubChem CID41246804
Molecular FormulaC15H12BrN3O3S
Molecular Weight394.25 g/mol
Exact Mass392.98
IUPAC Name5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide
SMILESO=C(NCCOc1ccc(-c2cccs2)nn1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O3S/c16-13-5-4-11(22-13)15(20)17-7-8-21-14-6-3-10(18-19-14)12-2-1-9-23-12/h1-6,9H,7-8H2,(H,17,20)
InChIKeyDRXUCYJXSLHJFM-UHFFFAOYSA-N
XLogP3.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246750
2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
CID 41246801
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide
CID 41246831
3-methyl-4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246812
4,5-dimethoxy-2-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246788
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990257
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
CID 121051123
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide
CID 41247021
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41247009
3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246988

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide (CID 41246804) is 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide is O=C(NCCOc1ccc(-c2cccs2)nn1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide?
The InChIKey is DRXUCYJXSLHJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S/c16-13-5-4-11(22-13)15(20)17-7-8-21-14-6-3-10(18-19-14)12-2-1-9-23-12/h1-6,9H,7-8H2,(H,17,20).
What are the key properties of 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide?
5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide has a molecular weight of 394.25 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide is sourced from PubChem (CID 41246804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).