N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide

C21H23N3O4S — CID 39849550

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)cc1
InChIInChI=1S/C21H23N3O4S/c1-4-24(5-2)29(27,28)17-9-7-16(8-10-17)23-21(26)15-6-11-19-18(13-15)20(25)12-14(3)22-19/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKCDZYXZRIVXTIN-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.12
Rot. Bonds6

About N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide (PubChem CID 39849550) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
PubChem CID39849550
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)cc1
InChIInChI=1S/C21H23N3O4S/c1-4-24(5-2)29(27,28)17-9-7-16(8-10-17)23-21(26)15-6-11-19-18(13-15)20(25)12-14(3)22-19/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKCDZYXZRIVXTIN-UHFFFAOYSA-N
XLogP3.12
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide 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

N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 29204953
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
4-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39849013
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 26759503
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-[4-(diethylsulfamoyl)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797900
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
3-(diethylsulfamoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 2326018
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide (CID 39849550) is N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
The InChIKey is KCDZYXZRIVXTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-4-24(5-2)29(27,28)17-9-7-16(8-10-17)23-21(26)15-6-11-19-18(13-15)20(25)12-14(3)22-19/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 39849550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).