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

C20H20N4O3S — CID 6402775

IUPAC2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(Nc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C20H20N4O3S/c1-26-16-7-3-14(4-8-16)21-18-11-12-20(24-23-18)28-13-19(25)22-15-5-9-17(27-2)10-6-15/h3-12H,13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyMWHKPIOQQVVDPG-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.97
Rot. Bonds8

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

2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 6402775) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID6402775
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(Nc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C20H20N4O3S/c1-26-16-7-3-14(4-8-16)21-18-11-12-20(24-23-18)28-13-19(25)22-15-5-9-17(27-2)10-6-15/h3-12H,13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyMWHKPIOQQVVDPG-UHFFFAOYSA-N
XLogP3.97
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 6402775) is 2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2ccc(Nc3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of 2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is MWHKPIOQQVVDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-26-16-7-3-14(4-8-16)21-18-11-12-20(24-23-18)28-13-19(25)22-15-5-9-17(27-2)10-6-15/h3-12H,13H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 6402775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).