N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

C18H15N3O3S — CID 7207250

IUPACN-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C18H15N3O3S/c1-12(22)13-4-2-5-14(10-13)19-17(23)11-25-18-8-7-15(20-21-18)16-6-3-9-24-16/h2-10H,11H2,1H3,(H,19,23)
InChIKeyCCHZHRZEBFKLOE-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.67
Rot. Bonds6

About N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207250) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207250
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C18H15N3O3S/c1-12(22)13-4-2-5-14(10-13)19-17(23)11-25-18-8-7-15(20-21-18)16-6-3-9-24-16/h2-10H,11H2,1H3,(H,19,23)
InChIKeyCCHZHRZEBFKLOE-UHFFFAOYSA-N
XLogP3.67
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207250) is N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is CCHZHRZEBFKLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-12(22)13-4-2-5-14(10-13)19-17(23)11-25-18-8-7-15(20-21-18)16-6-3-9-24-16/h2-10H,11H2,1H3,(H,19,23).
What are the key properties of N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 353.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).