2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide

C20H19N3O5S3 — CID 50838874

IUPAC2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)c2ccc(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C20H19N3O5S3/c1-14-3-7-17(8-4-14)31(27,28)20-12-11-19(22-23-20)29-13-18(24)21-15-5-9-16(10-6-15)30(2,25)26/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyULAZOTOWIDKTIN-UHFFFAOYSA-N
MW477.59 g/mol
LogP2.75
Rot. Bonds7

About 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide

2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 50838874) has the molecular formula C20H19N3O5S3 and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide
PubChem CID50838874
Molecular FormulaC20H19N3O5S3
Molecular Weight477.59 g/mol
Exact Mass477.05
IUPAC Name2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)c2ccc(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C20H19N3O5S3/c1-14-3-7-17(8-4-14)31(27,28)20-12-11-19(22-23-20)29-13-18(24)21-15-5-9-16(10-6-15)30(2,25)26/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyULAZOTOWIDKTIN-UHFFFAOYSA-N
XLogP2.75
TPSA123.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
CID 50838911
N-cyclopropyl-1-[6-[2-(4-methylsulfonylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 53136149
2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 51099210
N-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900437
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073983
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 18127801
N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide
CID 22425636
2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 24569937
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide (CID 50838874) is 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)c2ccc(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nn2)cc1.
What is the InChIKey of 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is ULAZOTOWIDKTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S3/c1-14-3-7-17(8-4-14)31(27,28)20-12-11-19(22-23-20)29-13-18(24)21-15-5-9-16(10-6-15)30(2,25)26/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide?
2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 477.59 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 50838874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).