N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide

C23H18FN3O2S — CID 6402607

IUPACN-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccc(SCc3ccc(C(=O)Nc4ccc(F)cc4)o3)nn2)cc1
InChIInChI=1S/C23H18FN3O2S/c1-15-2-4-16(5-3-15)20-11-13-22(27-26-20)30-14-19-10-12-21(29-19)23(28)25-18-8-6-17(24)7-9-18/h2-13H,14H2,1H3,(H,25,28)
InChIKeyDBJWVPJRRSFMOI-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.73
Rot. Bonds6

About N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide

N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide (PubChem CID 6402607) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
PubChem CID6402607
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC NameN-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccc(SCc3ccc(C(=O)Nc4ccc(F)cc4)o3)nn2)cc1
InChIInChI=1S/C23H18FN3O2S/c1-15-2-4-16(5-3-15)20-11-13-22(27-26-20)30-14-19-10-12-21(29-19)23(28)25-18-8-6-17(24)7-9-18/h2-13H,14H2,1H3,(H,25,28)
InChIKeyDBJWVPJRRSFMOI-UHFFFAOYSA-N
XLogP5.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide with MolForge

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Related Compounds

[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 6402585
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone
CID 6412558
5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 2804180
N-pentyl-5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 42763760
N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 42763751
5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 5110076
N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073983
N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide
CID 93101781
methyl 5-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate
CID 8699335
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
CID 7205692

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide (CID 6402607) is N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide is Cc1ccc(-c2ccc(SCc3ccc(C(=O)Nc4ccc(F)cc4)o3)nn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide?
The InChIKey is DBJWVPJRRSFMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c1-15-2-4-16(5-3-15)20-11-13-22(27-26-20)30-14-19-10-12-21(29-19)23(28)25-18-8-6-17(24)7-9-18/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide?
N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 6402607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).