2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C22H24N4O5S2 — CID 92684648

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H24N4O5S2/c1-16-12-17(2)14-19(13-16)26(32(3,28)29)15-22(27)24-18-7-9-20(10-8-18)33(30,31)25-21-6-4-5-11-23-21/h4-14H,15H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyDQKQPLYAPVUTKE-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.90
Rot. Bonds8

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 92684648) has the molecular formula C22H24N4O5S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID92684648
Molecular FormulaC22H24N4O5S2
Molecular Weight488.59 g/mol
Exact Mass488.12
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H24N4O5S2/c1-16-12-17(2)14-19(13-16)26(32(3,28)29)15-22(27)24-18-7-9-20(10-8-18)33(30,31)25-21-6-4-5-11-23-21/h4-14H,15H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyDQKQPLYAPVUTKE-UHFFFAOYSA-N
XLogP2.90
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-methylsulfonyl-3-nitroanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 28564287
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 92683753
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 99942452
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 46764787
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916482
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916157
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43876564
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43916058
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916915
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2420389
N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51343114

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 92684648) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is DQKQPLYAPVUTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S2/c1-16-12-17(2)14-19(13-16)26(32(3,28)29)15-22(27)24-18-7-9-20(10-8-18)33(30,31)25-21-6-4-5-11-23-21/h4-14H,15H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 92684648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).