N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide

C20H28N2O5S — CID 14739891

IUPACN-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide
SMILESCOCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H28N2O5S/c1-26-12-11-16-5-9-20(10-6-16)27-15-19(23)14-21-13-17-3-7-18(8-4-17)22-28(2,24)25/h3-10,19,21-23H,11-15H2,1-2H3
InChIKeyJBIIIJUBMKGJTB-UHFFFAOYSA-N
MW408.52 g/mol
LogP1.78
Rot. Bonds12

About N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide

N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 14739891) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide
PubChem CID14739891
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC NameN-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide
SMILESCOCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H28N2O5S/c1-26-12-11-16-5-9-20(10-6-16)27-15-19(23)14-21-13-17-3-7-18(8-4-17)22-28(2,24)25/h3-10,19,21-23H,11-15H2,1-2H3
InChIKeyJBIIIJUBMKGJTB-UHFFFAOYSA-N
XLogP1.78
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide (CID 14739891) is N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide is COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is JBIIIJUBMKGJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S/c1-26-12-11-16-5-9-20(10-6-16)27-15-19(23)14-21-13-17-3-7-18(8-4-17)22-28(2,24)25/h3-10,19,21-23H,11-15H2,1-2H3.
What are the key properties of N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide?
N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 1.78, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14739891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).