N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide

C22H25N3O4S — CID 24685932

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1C
InChIInChI=1S/C22H25N3O4S/c1-6-17-14(2)21(16-9-7-8-10-18(16)24-17)22(26)23-15-11-12-19(29-5)20(13-15)30(27,28)25(3)4/h7-13H,6H2,1-5H3,(H,23,26)
InChIKeyLMNKINXENWQYBX-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.62
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide (PubChem CID 24685932) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide
PubChem CID24685932
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1C
InChIInChI=1S/C22H25N3O4S/c1-6-17-14(2)21(16-9-7-8-10-18(16)24-17)22(26)23-15-11-12-19(29-5)20(13-15)30(27,28)25(3)4/h7-13H,6H2,1-5H3,(H,23,26)
InChIKeyLMNKINXENWQYBX-UHFFFAOYSA-N
XLogP3.62
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-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

2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide
CID 167921429
2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
CID 52553649
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
CID 9192103
3-(dimethylsulfamoyl)-N-(9-ethylcarbazol-3-yl)-4-methoxybenzamide
CID 45374091
N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191613
5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
CID 9106525
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26421741
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2,4-dimethoxybenzamide
CID 9106537

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide (CID 24685932) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide is CCc1nc2ccccc2c(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide?
The InChIKey is LMNKINXENWQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-6-17-14(2)21(16-9-7-8-10-18(16)24-17)22(26)23-15-11-12-19(29-5)20(13-15)30(27,28)25(3)4/h7-13H,6H2,1-5H3,(H,23,26).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 24685932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).