2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide

C23H25ClN2O3S — CID 167952759

IUPAC2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1ccc(C(C)(C)C(=O)NS(=O)(=O)c2cc(Cl)cc3cccnc23)cc1
InChIInChI=1S/C23H25ClN2O3S/c1-22(2,3)16-8-10-17(11-9-16)23(4,5)21(27)26-30(28,29)19-14-18(24)13-15-7-6-12-25-20(15)19/h6-14H,1-5H3,(H,26,27)
InChIKeyQPUVWMLKSWSOTI-UHFFFAOYSA-N
MW444.98 g/mol
LogP4.97
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide

2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide (PubChem CID 167952759) has the molecular formula C23H25ClN2O3S and a molecular weight of 444.98 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide
PubChem CID167952759
Molecular FormulaC23H25ClN2O3S
Molecular Weight444.98 g/mol
Exact Mass444.13
IUPAC Name2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1ccc(C(C)(C)C(=O)NS(=O)(=O)c2cc(Cl)cc3cccnc23)cc1
InChIInChI=1S/C23H25ClN2O3S/c1-22(2,3)16-8-10-17(11-9-16)23(4,5)21(27)26-30(28,29)19-14-18(24)13-15-7-6-12-25-20(15)19/h6-14H,1-5H3,(H,26,27)
InChIKeyQPUVWMLKSWSOTI-UHFFFAOYSA-N
XLogP4.97
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.98
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide 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

4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide
CID 166333595
N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide
CID 166333589
N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 166333578
N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide
CID 167977381
2-methyl-2-quinolin-6-ylpropanehydrazide
CID 66927115
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
N-(6-chloroquinolin-8-yl)-5-methylpyridine-2-sulfonamide
CID 171466566
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
8-sulfamoylquinoline-6-carboxylic acid
CID 50989782
2-[(6-chloroquinolin-8-yl)amino]butanoic acid
CID 113292361
(6-chloroquinolin-8-yl)hydrazine
CID 138505780

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide (CID 167952759) is 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide is CC(C)(C)c1ccc(C(C)(C)C(=O)NS(=O)(=O)c2cc(Cl)cc3cccnc23)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide?
The InChIKey is QPUVWMLKSWSOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3S/c1-22(2,3)16-8-10-17(11-9-16)23(4,5)21(27)26-30(28,29)19-14-18(24)13-15-7-6-12-25-20(15)19/h6-14H,1-5H3,(H,26,27).
What are the key properties of 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide?
2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide has a molecular weight of 444.98 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-(6-chloroquinolin-8-yl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 167952759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).