N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide

C24H25N3OS — CID 42763708

IUPACN-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)NC1CCCCC1
InChIInChI=1S/C24H25N3OS/c28-23(25-21-9-5-2-6-10-21)17-29-24-16-15-22(26-27-24)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1,3-4,7-8,11-16,21H,2,5-6,9-10,17H2,(H,25,28)
InChIKeyPWUAGGUWFVSARB-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.35
Rot. Bonds6

About N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide

N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 42763708) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID42763708
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC NameN-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)NC1CCCCC1
InChIInChI=1S/C24H25N3OS/c28-23(25-21-9-5-2-6-10-21)17-29-24-16-15-22(26-27-24)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1,3-4,7-8,11-16,21H,2,5-6,9-10,17H2,(H,25,28)
InChIKeyPWUAGGUWFVSARB-UHFFFAOYSA-N
XLogP5.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876870
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide
CID 7206275
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 42663314
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
N-cyclohexyl-6-phenylpyridazine-3-carboxamide
CID 113200519
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 3125700
N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672792
methyl 4-[[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 43936617

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 42763708) is N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is PWUAGGUWFVSARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c28-23(25-21-9-5-2-6-10-21)17-29-24-16-15-22(26-27-24)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1,3-4,7-8,11-16,21H,2,5-6,9-10,17H2,(H,25,28).
What are the key properties of N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 403.55 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 42763708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).