N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide

C25H23N3O3S — CID 146541441

IUPACN-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(Nc3cc(C)nc4ccc(C)cc34)cc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-16-4-13-24-23(14-16)25(15-17(2)26-24)28-20-7-11-22(12-8-20)32(30,31)21-9-5-19(6-10-21)27-18(3)29/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyHFXUMQGSARRBLU-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.39
Rot. Bonds5

About N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide

N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide (PubChem CID 146541441) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
PubChem CID146541441
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(Nc3cc(C)nc4ccc(C)cc34)cc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-16-4-13-24-23(14-16)25(15-17(2)26-24)28-20-7-11-22(12-8-20)32(30,31)21-9-5-19(6-10-21)27-18(3)29/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyHFXUMQGSARRBLU-UHFFFAOYSA-N
XLogP5.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]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

N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine
CID 1184486
2,6-dimethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]quinoline-4-carboxamide
CID 29195167
N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
CID 137376661
2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
CID 22417903
6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
CID 44569374
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide (CID 146541441) is N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)c2ccc(Nc3cc(C)nc4ccc(C)cc34)cc2)cc1.
What is the InChIKey of N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide?
The InChIKey is HFXUMQGSARRBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-16-4-13-24-23(14-16)25(15-17(2)26-24)28-20-7-11-22(12-8-20)32(30,31)21-9-5-19(6-10-21)27-18(3)29/h4-15H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide?
N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 146541441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).