4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide

C26H26N2O3S — CID 1168721

IUPAC4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C26H26N2O3S/c1-19-8-11-24(12-9-19)32(30,31)28(15-14-21-6-4-3-5-7-21)18-23-17-22-16-20(2)10-13-25(22)27-26(23)29/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,29)
InChIKeyLWUNCXNOIFGAAX-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.58
Rot. Bonds7

About 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide

4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1168721) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1168721
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC Name4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C26H26N2O3S/c1-19-8-11-24(12-9-19)32(30,31)28(15-14-21-6-4-3-5-7-21)18-23-17-22-16-20(2)10-13-25(22)27-26(23)29/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,29)
InChIKeyLWUNCXNOIFGAAX-UHFFFAOYSA-N
XLogP4.58
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide 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-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 1168647
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4903834
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1165503
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1168903
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168875
4-tert-butyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1432327
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 858519
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 4972680
N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161687
2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 1161817
ethyl 4-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl-(2-phenylethyl)sulfamoyl]benzoate
CID 1373469

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide (CID 1168721) is 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1.
What is the InChIKey of 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is LWUNCXNOIFGAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-19-8-11-24(12-9-19)32(30,31)28(15-14-21-6-4-3-5-7-21)18-23-17-22-16-20(2)10-13-25(22)27-26(23)29/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,29).
What are the key properties of 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 446.57 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1168721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).