2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

C15H13F3N4O3S — CID 42138991

IUPAC2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C15H13F3N4O3S/c1-9(23)19-12-6-7-14(22-21-12)26-8-13(24)20-10-2-4-11(5-3-10)25-15(16,17)18/h2-7H,8H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyKAMKCXITMGSKQM-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.06
Rot. Bonds6

About 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 42138991) has the molecular formula C15H13F3N4O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID42138991
Molecular FormulaC15H13F3N4O3S
Molecular Weight386.36 g/mol
Exact Mass386.07
IUPAC Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C15H13F3N4O3S/c1-9(23)19-12-6-7-14(22-21-12)26-8-13(24)20-10-2-4-11(5-3-10)25-15(16,17)18/h2-7H,8H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyKAMKCXITMGSKQM-UHFFFAOYSA-N
XLogP3.06
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{6-[({[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}cyclopropanecarboxamide
CID 25855349
N-{6-[({[4-(trifluoromethoxy)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}cyclopropanecarboxamide
CID 25855351
N-{6-[({[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-2-methylpropanamide
CID 25855523
3-fluoro-N-(6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42138388
2-((6-acetamidopyridazin-3-yl)thio)-N-(2-methoxy-5-(trifluoromethyl)phenyl)acetamide
CID 42138989
2-fluoro-N-(6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42139052
N-(6-((2-((2-methoxy-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)propionamide
CID 42139236
N-(6-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)pyridazin-3-yl)propionamide
CID 42139238
4-((6-acetamidopyridazin-3-yl)thio)-N-(4-(trifluoromethoxy)phenyl)butanamide
CID 42173169
4-((6-acetamidopyridazin-3-yl)thio)-N-(2-methoxy-5-(trifluoromethyl)phenyl)butanamide
CID 42173225
2-[6-(4-methoxyanilino)pyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 6402775
N-[6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-2-methylpropanamide
CID 25855456

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 42138991) is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1.
What is the InChIKey of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is KAMKCXITMGSKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3S/c1-9(23)19-12-6-7-14(22-21-12)26-8-13(24)20-10-2-4-11(5-3-10)25-15(16,17)18/h2-7H,8H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 386.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 42138991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).