N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide

C26H23N3O2S — CID 43936641

IUPACN-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C26H23N3O2S/c1-18-8-14-24(31-2)23(16-18)27-25(30)17-32-26-15-13-22(28-29-26)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,27,30)
InChIKeyXHUMWOZWJIIKLB-UHFFFAOYSA-N
MW441.56 g/mol
LogP5.86
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 43936641) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID43936641
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C26H23N3O2S/c1-18-8-14-24(31-2)23(16-18)27-25(30)17-32-26-15-13-22(28-29-26)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,27,30)
InChIKeyXHUMWOZWJIIKLB-UHFFFAOYSA-N
XLogP5.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 7207456
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
N-(2-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672535
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 41376785
N-[(2-methoxyphenyl)methyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936649
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
N-(2-methoxy-5-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667312
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936631
methyl 4-[[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 43936617
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7502849
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936648

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 43936641) is N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(C)cc1NC(=O)CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is XHUMWOZWJIIKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-18-8-14-24(31-2)23(16-18)27-25(30)17-32-26-15-13-22(28-29-26)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,27,30).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 441.56 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 43936641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).