2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide

C20H21N3O3S — CID 113154095

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
SMILESCc1cccc(N(CC(=O)Nc2cccc3cccnc23)S(C)(=O)=O)c1C
InChIInChI=1S/C20H21N3O3S/c1-14-7-4-11-18(15(14)2)23(27(3,25)26)13-19(24)22-17-10-5-8-16-9-6-12-21-20(16)17/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyDZKWKIYXYOSTIN-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.26
Rot. Bonds5

About 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide (PubChem CID 113154095) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
PubChem CID113154095
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
SMILESCc1cccc(N(CC(=O)Nc2cccc3cccnc23)S(C)(=O)=O)c1C
InChIInChI=1S/C20H21N3O3S/c1-14-7-4-11-18(15(14)2)23(27(3,25)26)13-19(24)22-17-10-5-8-16-9-6-12-21-20(16)17/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyDZKWKIYXYOSTIN-UHFFFAOYSA-N
XLogP3.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dimethyl-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-(2,3-dimethylphenyl)acetamide
CID 3383232
2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113153811
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156678
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
CID 113141855
N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156712
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1105251
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 92683753

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide (CID 113154095) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide is Cc1cccc(N(CC(=O)Nc2cccc3cccnc23)S(C)(=O)=O)c1C.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide?
The InChIKey is DZKWKIYXYOSTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-7-4-11-18(15(14)2)23(27(3,25)26)13-19(24)22-17-10-5-8-16-9-6-12-21-20(16)17/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide has a molecular weight of 383.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113154095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).