2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide

C15H18N2O4S — CID 90518392

IUPAC2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H18N2O4S/c1-20-14-2-4-15(5-3-14)21-10-11-22(18,19)17-12-13-6-8-16-9-7-13/h2-9,17H,10-12H2,1H3
InChIKeyWRYGYGDBDIWWMJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.59
Rot. Bonds8

About 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide

2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide (PubChem CID 90518392) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide
PubChem CID90518392
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H18N2O4S/c1-20-14-2-4-15(5-3-14)21-10-11-22(18,19)17-12-13-6-8-16-9-7-13/h2-9,17H,10-12H2,1H3
InChIKeyWRYGYGDBDIWWMJ-UHFFFAOYSA-N
XLogP1.59
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide 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

2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide
CID 47372245
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 113152810
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518427
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
N-[(4-butoxyphenyl)methyl]ethanesulfonamide
CID 110781180

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide (CID 90518392) is 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide is COc1ccc(OCCS(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide?
The InChIKey is WRYGYGDBDIWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-20-14-2-4-15(5-3-14)21-10-11-22(18,19)17-12-13-6-8-16-9-7-13/h2-9,17H,10-12H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide?
2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 90518392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).