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

C22H23N3OS — CID 42763706

IUPACN-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(C)CNC(=O)CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C22H23N3OS/c1-16(2)14-23-21(26)15-27-22-13-12-20(24-25-22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,23,26)
InChIKeyLQZLDAMLPYJZPZ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.67
Rot. Bonds7

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

N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 42763706) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID42763706
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(C)CNC(=O)CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C22H23N3OS/c1-16(2)14-23-21(26)15-27-22-13-12-20(24-25-22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,23,26)
InChIKeyLQZLDAMLPYJZPZ-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 42663314
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
N-[(2-methoxyphenyl)methyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936649
methyl 4-[[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 43936617
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936648
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936632
N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763708
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936641
2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 6402505
N-(2-methylpropyl)-2-(4-phenylanilino)acetamide
CID 60647076

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 42763706) is N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide is CC(C)CNC(=O)CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1.
What is the InChIKey of N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is LQZLDAMLPYJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-16(2)14-23-21(26)15-27-22-13-12-20(24-25-22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 377.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 42763706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).