2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide

C19H19N3O3S — CID 7207272

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-15-6-4-14(5-7-15)10-11-20-18(23)13-26-19-9-8-16(21-22-19)17-3-2-12-25-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyQVRYJYZKPRVRCL-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.20
Rot. Bonds8

About 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 7207272) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID7207272
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-15-6-4-14(5-7-15)10-11-20-18(23)13-26-19-9-8-16(21-22-19)17-3-2-12-25-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyQVRYJYZKPRVRCL-UHFFFAOYSA-N
XLogP3.20
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 7207272) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CSc2ccc(-c3ccco3)nn2)cc1.
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is QVRYJYZKPRVRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-15-6-4-14(5-7-15)10-11-20-18(23)13-26-19-9-8-16(21-22-19)17-3-2-12-25-17/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 7207272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).