2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide

C16H12N4O4S — CID 7688111

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O4S/c21-15(17-11-4-1-2-5-13(11)20(22)23)10-25-16-8-7-12(18-19-16)14-6-3-9-24-14/h1-9H,10H2,(H,17,21)
InChIKeyCVDXASHHYKCJHP-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.38
Rot. Bonds6

About 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide (PubChem CID 7688111) has the molecular formula C16H12N4O4S and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
PubChem CID7688111
Molecular FormulaC16H12N4O4S
Molecular Weight356.36 g/mol
Exact Mass356.06
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O4S/c21-15(17-11-4-1-2-5-13(11)20(22)23)10-25-16-8-7-12(18-19-16)14-6-3-9-24-14/h1-9H,10H2,(H,17,21)
InChIKeyCVDXASHHYKCJHP-UHFFFAOYSA-N
XLogP3.38
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.38
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'}

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Related Compounds

N-(2-chlorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688107
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7672457
N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7688093
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7672479
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 55498993
N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688106
2-[[5-(2-methylfuran-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
CID 19726516
N-(2-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672535
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 3138497
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
CID 3128737
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 2879195

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide (CID 7688111) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide is O=C(CSc1ccc(-c2ccco2)nn1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The InChIKey is CVDXASHHYKCJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S/c21-15(17-11-4-1-2-5-13(11)20(22)23)10-25-16-8-7-12(18-19-16)14-6-3-9-24-14/h1-9H,10H2,(H,17,21).
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide has a molecular weight of 356.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 7688111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).