2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide

C20H22N2O4S — CID 113102226

IUPAC2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCOc1ccc2ncccc2c1
InChIInChI=1S/C20H22N2O4S/c1-14-11-19(25-3)20(12-15(14)2)27(23,24)22-9-10-26-17-6-7-18-16(13-17)5-4-8-21-18/h4-8,11-13,22H,9-10H2,1-3H3
InChIKeyWFSSLJHKAKVRRH-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.22
Rot. Bonds7

About 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide

2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide (PubChem CID 113102226) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
PubChem CID113102226
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCOc1ccc2ncccc2c1
InChIInChI=1S/C20H22N2O4S/c1-14-11-19(25-3)20(12-15(14)2)27(23,24)22-9-10-26-17-6-7-18-16(13-17)5-4-8-21-18/h4-8,11-13,22H,9-10H2,1-3H3
InChIKeyWFSSLJHKAKVRRH-UHFFFAOYSA-N
XLogP3.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102220
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide
CID 113102175
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
CID 112975863
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113101989
2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286463

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide (CID 113102226) is 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCOc1ccc2ncccc2c1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide?
The InChIKey is WFSSLJHKAKVRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-11-19(25-3)20(12-15(14)2)27(23,24)22-9-10-26-17-6-7-18-16(13-17)5-4-8-21-18/h4-8,11-13,22H,9-10H2,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 113102226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).