N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

C18H16N4O3S — CID 7207152

IUPACN-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C18H16N4O3S/c1-12(23)19-13-4-6-14(7-5-13)20-17(24)11-26-18-9-8-15(21-22-18)16-3-2-10-25-16/h2-10H,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyKPVNCPNGBSWHME-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.43
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207152) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207152
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C18H16N4O3S/c1-12(23)19-13-4-6-14(7-5-13)20-17(24)11-26-18-9-8-15(21-22-18)16-3-2-10-25-16/h2-10H,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyKPVNCPNGBSWHME-UHFFFAOYSA-N
XLogP3.43
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207152) is N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is KPVNCPNGBSWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-12(23)19-13-4-6-14(7-5-13)20-17(24)11-26-18-9-8-15(21-22-18)16-3-2-10-25-16/h2-10H,11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 368.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).