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

C16H19N3O2S — CID 7207099

IUPACN-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)NC1CCCCC1
InChIInChI=1S/C16H19N3O2S/c20-15(17-12-5-2-1-3-6-12)11-22-16-9-8-13(18-19-16)14-7-4-10-21-14/h4,7-10,12H,1-3,5-6,11H2,(H,17,20)
InChIKeyVXGYKBVCUAETPN-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.28
Rot. Bonds5

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

N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207099) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207099
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)NC1CCCCC1
InChIInChI=1S/C16H19N3O2S/c20-15(17-12-5-2-1-3-6-12)11-22-16-9-8-13(18-19-16)14-7-4-10-21-14/h4,7-10,12H,1-3,5-6,11H2,(H,17,20)
InChIKeyVXGYKBVCUAETPN-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207099) is N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccco2)nn1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is VXGYKBVCUAETPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15(17-12-5-2-1-3-6-12)11-22-16-9-8-13(18-19-16)14-7-4-10-21-14/h4,7-10,12H,1-3,5-6,11H2,(H,17,20).
What are the key properties of N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 317.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).