2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide

C22H18Cl3N3O4S — CID 175434292

IUPAC2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2cc(NC(=O)Cc3c(Cl)cccc3Cl)ccn2)cc1Cl
InChIInChI=1S/C22H18Cl3N3O4S/c1-33(31,32)19-6-5-13(9-18(19)25)10-21(29)28-20-11-14(7-8-26-20)27-22(30)12-15-16(23)3-2-4-17(15)24/h2-9,11H,10,12H2,1H3,(H2,26,27,28,29,30)
InChIKeyFAXUTXSEMPXVKT-UHFFFAOYSA-N
MW526.83 g/mol
LogP4.81
Rot. Bonds7

About 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide

2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide (PubChem CID 175434292) has the molecular formula C22H18Cl3N3O4S and a molecular weight of 526.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide
PubChem CID175434292
Molecular FormulaC22H18Cl3N3O4S
Molecular Weight526.83 g/mol
Exact Mass525.01
IUPAC Name2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2cc(NC(=O)Cc3c(Cl)cccc3Cl)ccn2)cc1Cl
InChIInChI=1S/C22H18Cl3N3O4S/c1-33(31,32)19-6-5-13(9-18(19)25)10-21(29)28-20-11-14(7-8-26-20)27-22(30)12-15-16(23)3-2-4-17(15)24/h2-9,11H,10,12H2,1H3,(H2,26,27,28,29,30)
InChIKeyFAXUTXSEMPXVKT-UHFFFAOYSA-N
XLogP4.81
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.83
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide
CID 172570951
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 134062889
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
CID 60533156
2-(2,6-dichlorophenyl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 51985201
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746745
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114293210
2-(2,6-dichlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672915
2-(2,6-dichlorophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795621
N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
CID 162428357

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide (CID 175434292) is 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2cc(NC(=O)Cc3c(Cl)cccc3Cl)ccn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide?
The InChIKey is FAXUTXSEMPXVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3N3O4S/c1-33(31,32)19-6-5-13(9-18(19)25)10-21(29)28-20-11-14(7-8-26-20)27-22(30)12-15-16(23)3-2-4-17(15)24/h2-9,11H,10,12H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide?
2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide has a molecular weight of 526.83 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 175434292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).