2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide

C19H19N3O3S — CID 113153811

IUPAC2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
SMILESCc1ccc(N(CC(=O)Nc2cccc3cccnc23)S(C)(=O)=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-8-10-16(11-9-14)22(26(2,24)25)13-18(23)21-17-7-3-5-15-6-4-12-20-19(15)17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyKAYOUSMUYFFTPI-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide

2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide (PubChem CID 113153811) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
PubChem CID113153811
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
SMILESCc1ccc(N(CC(=O)Nc2cccc3cccnc23)S(C)(=O)=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-8-10-16(11-9-14)22(26(2,24)25)13-18(23)21-17-7-3-5-15-6-4-12-20-19(15)17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyKAYOUSMUYFFTPI-UHFFFAOYSA-N
XLogP2.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide 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-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113154095
3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
CID 113141855
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
CID 113151061
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
CID 113151329
2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide
CID 110684450
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 1320723
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156678
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 126030274

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide (CID 113153811) is 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide is Cc1ccc(N(CC(=O)Nc2cccc3cccnc23)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide?
The InChIKey is KAYOUSMUYFFTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-8-10-16(11-9-14)22(26(2,24)25)13-18(23)21-17-7-3-5-15-6-4-12-20-19(15)17/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide?
2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide has a molecular weight of 369.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113153811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).