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

C22H24N4O5S2 — CID 92683753

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C22H24N4O5S2/c1-16-7-6-8-20(17(16)2)26(32(3,28)29)15-22(27)24-18-10-12-19(13-11-18)33(30,31)25-21-9-4-5-14-23-21/h4-14H,15H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyZHLIPXDEPROHQC-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.90
Rot. Bonds8

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

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 92683753) has the molecular formula C22H24N4O5S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID92683753
Molecular FormulaC22H24N4O5S2
Molecular Weight488.59 g/mol
Exact Mass488.12
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C22H24N4O5S2/c1-16-7-6-8-20(17(16)2)26(32(3,28)29)15-22(27)24-18-10-12-19(13-11-18)33(30,31)25-21-9-4-5-14-23-21/h4-14H,15H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyZHLIPXDEPROHQC-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-(2,3-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-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 92684648
2-(N-methylsulfonyl-3-nitroanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 28564287
2-(2-methyl-N-methylsulfonylanilino)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55359292
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916482
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-(2-ethyl-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 30392480
N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 113154098
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 28589548
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2420389
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916157
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881393
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 92683753) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1C.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is ZHLIPXDEPROHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S2/c1-16-7-6-8-20(17(16)2)26(32(3,28)29)15-22(27)24-18-10-12-19(13-11-18)33(30,31)25-21-9-4-5-14-23-21/h4-14H,15H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-(2,3-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-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 92683753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).