N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide

C23H24N4O2S — CID 7673100

IUPACN-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3cc(C)c(C)cc3C)nn2)cc1
InChIInChI=1S/C23H24N4O2S/c1-14-11-16(3)20(12-15(14)2)21-9-10-23(27-26-21)30-13-22(29)25-19-7-5-18(6-8-19)24-17(4)28/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyULZYSECKKPCHKH-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.76
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7673100) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7673100
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3cc(C)c(C)cc3C)nn2)cc1
InChIInChI=1S/C23H24N4O2S/c1-14-11-16(3)20(12-15(14)2)21-9-10-23(27-26-21)30-13-22(29)25-19-7-5-18(6-8-19)24-17(4)28/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyULZYSECKKPCHKH-UHFFFAOYSA-N
XLogP4.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936797
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 8699462
N-[[(2R)-oxolan-2-yl]methyl]-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7673113
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
N-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900437
N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206083
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 40701033
N-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502633
N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461184

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7673100) is N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3cc(C)c(C)cc3C)nn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is ULZYSECKKPCHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-14-11-16(3)20(12-15(14)2)21-9-10-23(27-26-21)30-13-22(29)25-19-7-5-18(6-8-19)24-17(4)28/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 420.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7673100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).