2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide

C16H18N4O2S — CID 42138904

IUPAC2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2cccc(C)c2C)nn1
InChIInChI=1S/C16H18N4O2S/c1-10-5-4-6-13(11(10)2)18-15(22)9-23-16-8-7-14(19-20-16)17-12(3)21/h4-8H,9H2,1-3H3,(H,18,22)(H,17,19,21)
InChIKeyRCBJNWHWTQBNLB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.78
Rot. Bonds5

About 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide

2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide (PubChem CID 42138904) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
PubChem CID42138904
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2cccc(C)c2C)nn1
InChIInChI=1S/C16H18N4O2S/c1-10-5-4-6-13(11(10)2)18-15(22)9-23-16-8-7-14(19-20-16)17-12(3)21/h4-8H,9H2,1-3H3,(H,18,22)(H,17,19,21)
InChIKeyRCBJNWHWTQBNLB-UHFFFAOYSA-N
XLogP2.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542992
N-(2,3-dimethylphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 86790583
N-(2,3-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53002971
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 16815054
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 42138969
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide
CID 42138966
N-(2,3-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532833
2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 864327
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 42139030
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1119483
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 7728786

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide (CID 42138904) is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2cccc(C)c2C)nn1.
What is the InChIKey of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is RCBJNWHWTQBNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-5-4-6-13(11(10)2)18-15(22)9-23-16-8-7-14(19-20-16)17-12(3)21/h4-8H,9H2,1-3H3,(H,18,22)(H,17,19,21).
What are the key properties of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide?
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 42138904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).