2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

C20H26N2O5S — CID 27665440

IUPAC2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C20H26N2O5S/c1-25-18-7-8-19(26-2)20(13-18)28(23,24)21-14-16-5-3-4-6-17(16)15-22-9-11-27-12-10-22/h3-8,13,21H,9-12,14-15H2,1-2H3
InChIKeyYCYSQKCPPBXYDT-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.01
Rot. Bonds8

About 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 27665440) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID27665440
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C20H26N2O5S/c1-25-18-7-8-19(26-2)20(13-18)28(23,24)21-14-16-5-3-4-6-17(16)15-22-9-11-27-12-10-22/h3-8,13,21H,9-12,14-15H2,1-2H3
InChIKeyYCYSQKCPPBXYDT-UHFFFAOYSA-N
XLogP2.01
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide 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

N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 100530587
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190635
2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110642838
2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190612
2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 60540087
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 25044228
1-(2,5-dimethoxyphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111033263
2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892761
2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267350

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 27665440) is 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is YCYSQKCPPBXYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-25-18-7-8-19(26-2)20(13-18)28(23,24)21-14-16-5-3-4-6-17(16)15-22-9-11-27-12-10-22/h3-8,13,21H,9-12,14-15H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 27665440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).