N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide

C23H22FN3O2S — CID 46323684

IUPACN-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C23H22FN3O2S/c24-17-8-12-20(13-9-17)30-21-14-15-22(28)27(26-21)19-10-6-16(7-11-19)23(29)25-18-4-2-1-3-5-18/h6-15,18H,1-5H2,(H,25,29)
InChIKeyAANXSMWCQDPYHP-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.59
Rot. Bonds5

About N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide

N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (PubChem CID 46323684) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
PubChem CID46323684
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC NameN-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C23H22FN3O2S/c24-17-8-12-20(13-9-17)30-21-14-15-22(28)27(26-21)19-10-6-16(7-11-19)23(29)25-18-4-2-1-3-5-18/h6-15,18H,1-5H2,(H,25,29)
InChIKeyAANXSMWCQDPYHP-UHFFFAOYSA-N
XLogP4.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
(2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92880705
1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide
CID 55634816
N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169768
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9213923
N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55631027
N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
CID 46364382
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
(1S,5R)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467265

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The IUPAC name of N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (CID 46323684) is N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is O=C(NC1CCCCC1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The InChIKey is AANXSMWCQDPYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c24-17-8-12-20(13-9-17)30-21-14-15-22(28)27(26-21)19-10-6-16(7-11-19)23(29)25-18-4-2-1-3-5-18/h6-15,18H,1-5H2,(H,25,29).
What are the key properties of N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide has a molecular weight of 423.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is sourced from PubChem (CID 46323684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).