2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide

C20H18FN3O3S — CID 7205814

IUPAC2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(F)cc3)nn2)cc1OC
InChIInChI=1S/C20H18FN3O3S/c1-26-17-9-3-13(11-18(17)27-2)16-8-10-20(24-23-16)28-12-19(25)22-15-6-4-14(21)5-7-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyBXFRAPSJFVRFIM-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.03
Rot. Bonds7

About 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 7205814) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID7205814
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(F)cc3)nn2)cc1OC
InChIInChI=1S/C20H18FN3O3S/c1-26-17-9-3-13(11-18(17)27-2)16-8-10-20(24-23-16)28-12-19(25)22-15-6-4-14(21)5-7-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyBXFRAPSJFVRFIM-UHFFFAOYSA-N
XLogP4.03
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 7205828
CID 7205828
CID 649759
CID 649759
CID 654821
CID 654821
CID 3228003
CID 3228003
CID 3228046
CID 3228046
CID 3228049
CID 3228049
CID 6414072
CID 6414072
CID 7205812
CID 7205812
CID 7205987
CID 7205987
CID 7206214
CID 7206214
CID 7206270
CID 7206270
CID 7206276
CID 7206276

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 7205814) is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide is COc1ccc(-c2ccc(SCC(=O)Nc3ccc(F)cc3)nn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is BXFRAPSJFVRFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-26-17-9-3-13(11-18(17)27-2)16-8-10-20(24-23-16)28-12-19(25)22-15-6-4-14(21)5-7-15/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7205814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).