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

C18H17N3O2S — CID 7207117

IUPACN-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1C
InChIInChI=1S/C18H17N3O2S/c1-12-5-3-6-14(13(12)2)19-17(22)11-24-18-9-8-15(20-21-18)16-7-4-10-23-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyLXKYEOBUQVIVMW-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.08
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207117) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207117
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1C
InChIInChI=1S/C18H17N3O2S/c1-12-5-3-6-14(13(12)2)19-17(22)11-24-18-9-8-15(20-21-18)16-7-4-10-23-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyLXKYEOBUQVIVMW-UHFFFAOYSA-N
XLogP4.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207117) is N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is Cc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is LXKYEOBUQVIVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-5-3-6-14(13(12)2)19-17(22)11-24-18-9-8-15(20-21-18)16-7-4-10-23-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).