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

C18H17N3O2S — CID 6623955

IUPACN-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-13-5-7-14(8-6-13)19-17(22)12-24-18-10-9-15(20-21-18)16-4-3-11-23-16/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyDCDOJYXANFXQHC-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.03
Rot. Bonds6

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

N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 6623955) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID6623955
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-13-5-7-14(8-6-13)19-17(22)12-24-18-10-9-15(20-21-18)16-4-3-11-23-16/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyDCDOJYXANFXQHC-UHFFFAOYSA-N
XLogP4.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 6623955) is N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is CCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is DCDOJYXANFXQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-13-5-7-14(8-6-13)19-17(22)12-24-18-10-9-15(20-21-18)16-4-3-11-23-16/h3-11H,2,12H2,1H3,(H,19,22).
What are the key properties of N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 6623955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).