N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide

C20H22N2O4S — CID 3734438

IUPACN-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H22N2O4S/c1-3-26-17-10-9-15(14-18(17)25-2)11-13-22-27(23,24)19-8-4-6-16-7-5-12-21-20(16)19/h4-10,12,14,22H,3,11,13H2,1-2H3
InChIKeyHEJLFUIYHFNXIH-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.16
Rot. Bonds8

About N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide

N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide (PubChem CID 3734438) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
PubChem CID3734438
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H22N2O4S/c1-3-26-17-10-9-15(14-18(17)25-2)11-13-22-27(23,24)19-8-4-6-16-7-5-12-21-20(16)19/h4-10,12,14,22H,3,11,13H2,1-2H3
InChIKeyHEJLFUIYHFNXIH-UHFFFAOYSA-N
XLogP3.16
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide 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

8-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3869525
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219
2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3482971
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 3836632
5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615074
2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 18152497
N-butylquinoline-8-sulfonamide
CID 2068304
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3699992
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-8-sulfonamide;hydrochloride
CID 21091970
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]quinoline-8-sulfonamide
CID 21092409

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide (CID 3734438) is N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide is CCOc1ccc(CCNS(=O)(=O)c2cccc3cccnc23)cc1OC.
What is the InChIKey of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide?
The InChIKey is HEJLFUIYHFNXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-26-17-10-9-15(14-18(17)25-2)11-13-22-27(23,24)19-8-4-6-16-7-5-12-21-20(16)19/h4-10,12,14,22H,3,11,13H2,1-2H3.
What are the key properties of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide?
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 3734438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).