2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide

C20H19N3O3S2 — CID 41213085

IUPAC2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NC(=O)CSCc3ccccc3)cc2)nn1
InChIInChI=1S/C20H19N3O3S2/c1-28(25,26)20-12-11-18(22-23-20)16-7-9-17(10-8-16)21-19(24)14-27-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,21,24)
InChIKeyLEJHVKBZKIAMFT-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.42
Rot. Bonds7

About 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide

2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (PubChem CID 41213085) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
PubChem CID41213085
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NC(=O)CSCc3ccccc3)cc2)nn1
InChIInChI=1S/C20H19N3O3S2/c1-28(25,26)20-12-11-18(22-23-20)16-7-9-17(10-8-16)21-19(24)14-27-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,21,24)
InChIKeyLEJHVKBZKIAMFT-UHFFFAOYSA-N
XLogP3.42
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213083
2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532239
2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213086
2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 20930344
2-benzylsulfanyl-N-[4-[2-[4-[(2-benzylsulfanylacetyl)amino]phenyl]pyrimidin-5-yl]phenyl]acetamide
CID 4176805
2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7594665
N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-9H-xanthene-9-carboxamide
CID 41213100
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide
CID 18567788
2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1293770
2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 4091251
3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 27452337

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (CID 41213085) is 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is CS(=O)(=O)c1ccc(-c2ccc(NC(=O)CSCc3ccccc3)cc2)nn1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is LEJHVKBZKIAMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-28(25,26)20-12-11-18(22-23-20)16-7-9-17(10-8-16)21-19(24)14-27-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,21,24).
What are the key properties of 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 41213085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).