N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C20H18FN3O2S — CID 7206231

IUPACN-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1cccc(-c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C20H18FN3O2S/c1-26-17-4-2-3-15(11-17)18-9-10-20(24-23-18)27-13-19(25)22-12-14-5-7-16(21)8-6-14/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyDWTJUDLOGAHZAL-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.70
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7206231) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7206231
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1cccc(-c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C20H18FN3O2S/c1-26-17-4-2-3-15(11-17)18-9-10-20(24-23-18)27-13-19(25)22-12-14-5-7-16(21)8-6-14/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyDWTJUDLOGAHZAL-UHFFFAOYSA-N
XLogP3.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7206231) is N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1cccc(-c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is DWTJUDLOGAHZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-26-17-4-2-3-15(11-17)18-9-10-20(24-23-18)27-13-19(25)22-12-14-5-7-16(21)8-6-14/h2-11H,12-13H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 383.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7206231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).