2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide

C16H18N4O4S — CID 42138913

IUPAC2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(NC(C)=O)nn2)c(OC)c1
InChIInChI=1S/C16H18N4O4S/c1-10(21)17-14-6-7-16(20-19-14)25-9-15(22)18-12-5-4-11(23-2)8-13(12)24-3/h4-8H,9H2,1-3H3,(H,18,22)(H,17,19,21)
InChIKeyYWQPCWJSHPGUSQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.18
Rot. Bonds7

About 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide

2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 42138913) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID42138913
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(NC(C)=O)nn2)c(OC)c1
InChIInChI=1S/C16H18N4O4S/c1-10(21)17-14-6-7-16(20-19-14)25-9-15(22)18-12-5-4-11(23-2)8-13(12)24-3/h4-8H,9H2,1-3H3,(H,18,22)(H,17,19,21)
InChIKeyYWQPCWJSHPGUSQ-UHFFFAOYSA-N
XLogP2.18
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide (CID 42138913) is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2ccc(NC(C)=O)nn2)c(OC)c1.
What is the InChIKey of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is YWQPCWJSHPGUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-10(21)17-14-6-7-16(20-19-14)25-9-15(22)18-12-5-4-11(23-2)8-13(12)24-3/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-(2,4-dimethoxyphenyl)acetamide?
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 42138913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).