N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide

C24H26FN5OS — CID 53108952

IUPACN-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1
InChIInChI=1S/C24H26FN5OS/c1-2-18-3-7-20(8-4-18)26-23(31)17-32-24-12-11-22(27-28-24)30-15-13-29(14-16-30)21-9-5-19(25)6-10-21/h3-12H,2,13-17H2,1H3,(H,26,31)
InChIKeyHDVUZIAPNUOGEF-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.24
Rot. Bonds7

About N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide

N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53108952) has the molecular formula C24H26FN5OS and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID53108952
Molecular FormulaC24H26FN5OS
Molecular Weight451.57 g/mol
Exact Mass451.18
IUPAC NameN-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1
InChIInChI=1S/C24H26FN5OS/c1-2-18-3-7-20(8-4-18)26-23(31)17-32-24-12-11-22(27-28-24)30-15-13-29(14-16-30)21-9-5-19(25)6-10-21/h3-12H,2,13-17H2,1H3,(H,26,31)
InChIKeyHDVUZIAPNUOGEF-UHFFFAOYSA-N
XLogP4.24
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108943
N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108933
N-(1,3-benzodioxol-5-yl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108939
1-[6-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50825989
N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 18874225
N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109106
2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 50843502
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109123192
N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073983
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (CID 53108952) is N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is CCc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is HDVUZIAPNUOGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5OS/c1-2-18-3-7-20(8-4-18)26-23(31)17-32-24-12-11-22(27-28-24)30-15-13-29(14-16-30)21-9-5-19(25)6-10-21/h3-12H,2,13-17H2,1H3,(H,26,31).
What are the key properties of N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 451.57 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53108952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).