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

C20H18FN3O3S — CID 7502825

IUPACN-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c(OC)c1
InChIInChI=1S/C20H18FN3O3S/c1-26-15-7-8-17(18(11-15)27-2)22-19(25)12-28-20-10-9-16(23-24-20)13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyKWAFPNVDLNBXGL-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.03
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7502825) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7502825
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c(OC)c1
InChIInChI=1S/C20H18FN3O3S/c1-26-15-7-8-17(18(11-15)27-2)22-19(25)12-28-20-10-9-16(23-24-20)13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyKWAFPNVDLNBXGL-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (CID 7502825) is N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is KWAFPNVDLNBXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-26-15-7-8-17(18(11-15)27-2)22-19(25)12-28-20-10-9-16(23-24-20)13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide 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 N-(2,4-dimethoxyphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7502825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).