2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C27H26N4O5S2 — CID 43916482

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H26N4O5S2/c1-20-11-12-21(2)25(18-20)31(38(35,36)24-8-4-3-5-9-24)19-27(32)29-22-13-15-23(16-14-22)37(33,34)30-26-10-6-7-17-28-26/h3-18H,19H2,1-2H3,(H,28,30)(H,29,32)
InChIKeySDFXZDCQKNVRIK-UHFFFAOYSA-N
MW550.66 g/mol
LogP4.33
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 43916482) has the molecular formula C27H26N4O5S2 and a molecular weight of 550.66 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID43916482
Molecular FormulaC27H26N4O5S2
Molecular Weight550.66 g/mol
Exact Mass550.13
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H26N4O5S2/c1-20-11-12-21(2)25(18-20)31(38(35,36)24-8-4-3-5-9-24)19-27(32)29-22-13-15-23(16-14-22)37(33,34)30-26-10-6-7-17-28-26/h3-18H,19H2,1-2H3,(H,28,30)(H,29,32)
InChIKeySDFXZDCQKNVRIK-UHFFFAOYSA-N
XLogP4.33
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916157
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylphenyl)acetamide
CID 30173912
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43876564
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880905
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 92684648
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide
CID 1372321
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880979
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 99942452
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916915
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 92683753
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 43916482) is 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is SDFXZDCQKNVRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5S2/c1-20-11-12-21(2)25(18-20)31(38(35,36)24-8-4-3-5-9-24)19-27(32)29-22-13-15-23(16-14-22)37(33,34)30-26-10-6-7-17-28-26/h3-18H,19H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 550.66 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43916482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).