N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C19H20N4O4S — CID 3992902

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H20N4O4S/c1-13-8-9-14(10-17(13)28(26,27)22(2)3)21-18(24)12-23-16-7-5-4-6-15(16)20-11-19(23)25/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyUSKRCXAJLLKQDJ-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.59
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 3992902) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID3992902
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H20N4O4S/c1-13-8-9-14(10-17(13)28(26,27)22(2)3)21-18(24)12-23-16-7-5-4-6-15(16)20-11-19(23)25/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyUSKRCXAJLLKQDJ-UHFFFAOYSA-N
XLogP1.59
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 3992902) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is USKRCXAJLLKQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-13-8-9-14(10-17(13)28(26,27)22(2)3)21-18(24)12-23-16-7-5-4-6-15(16)20-11-19(23)25/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 3992902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).