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

C25H24N2O4S — CID 4911266

IUPACN-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-3-31-22-13-11-21(12-14-22)27(32(29,30)23-7-5-4-6-8-23)17-20-16-19-10-9-18(2)15-24(19)26-25(20)28/h4-16H,3,17H2,1-2H3,(H,26,28)
InChIKeyBZJSSPUQDURRIR-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.63
Rot. Bonds7

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

N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 4911266) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID4911266
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-3-31-22-13-11-21(12-14-22)27(32(29,30)23-7-5-4-6-8-23)17-20-16-19-10-9-18(2)15-24(19)26-25(20)28/h4-16H,3,17H2,1-2H3,(H,26,28)
InChIKeyBZJSSPUQDURRIR-UHFFFAOYSA-N
XLogP4.63
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 23605192
N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1417601
N-(4-ethoxyphenyl)-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903642
4-ethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324639
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2066349
4-methoxy-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903579
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide
CID 930092
N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1389745
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 4972680

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 4911266) is N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is BZJSSPUQDURRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-3-31-22-13-11-21(12-14-22)27(32(29,30)23-7-5-4-6-8-23)17-20-16-19-10-9-18(2)15-24(19)26-25(20)28/h4-16H,3,17H2,1-2H3,(H,26,28).
What are the key properties of N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 448.54 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 4911266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).