4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

C28H28N2O4S — CID 1161747

IUPAC4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C28H28N2O4S/c1-19-8-9-24-17-25(28(32)29-27(24)16-19)18-30(15-14-22-7-5-4-6-20(22)2)35(33,34)26-12-10-23(11-13-26)21(3)31/h4-13,16-17H,14-15,18H2,1-3H3,(H,29,32)
InChIKeyUFEHENPQWROWID-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.78
Rot. Bonds8

About 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 1161747) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID1161747
Molecular FormulaC28H28N2O4S
Molecular Weight488.61 g/mol
Exact Mass488.18
IUPAC Name4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C28H28N2O4S/c1-19-8-9-24-17-25(28(32)29-27(24)16-19)18-30(15-14-22-7-5-4-6-20(22)2)35(33,34)26-12-10-23(11-13-26)21(3)31/h4-13,16-17H,14-15,18H2,1-3H3,(H,29,32)
InChIKeyUFEHENPQWROWID-UHFFFAOYSA-N
XLogP4.78
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161687
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
ethyl 4-[2-hydroxyethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1161692
ethyl 4-[3-hydroxypropyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 3183836
2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 1161817
4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 24850392
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1168721
4-methoxy-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903579
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
methyl 4-[furan-2-ylmethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1146897
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 1161752

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 1161747) is 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1.
What is the InChIKey of 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is UFEHENPQWROWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S/c1-19-8-9-24-17-25(28(32)29-27(24)16-19)18-30(15-14-22-7-5-4-6-20(22)2)35(33,34)26-12-10-23(11-13-26)21(3)31/h4-13,16-17H,14-15,18H2,1-3H3,(H,29,32).
What are the key properties of 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 488.61 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1161747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).