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

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Related Compounds

Dofetilide
CID 71329
N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-4-iodobenzenesulfonamide
CID 16118894
Methanesulfonamide, N-(4-(2-((2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl)-
CID 10455225
N-[[3-[(2S)-2-Hydroxy-3-[[2-[4-[(phenylsulfonyl)amino]phenyl]ethyl]amino]propoxy]phenyl]methyl]-acetamide
CID 10028830
L-748328
CID 10323892
2-Phenyl-ethanesulfonic acid (4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenyl)-amide
CID 9912580
(S)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propylamino)ethyl)phenyl)benzenesulfonamide
CID 9933039
N-[4-[2-[benzyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 10006804
N-[4-({[2-hydroxy-3-(3-methylphenoxy)propyl]amino}methyl)phenyl]methanesulfonamide
CID 14739889
N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide
CID 14739890
N-{4-[4-(2-Hydroxy-3-m-tolyloxy-propyl)-piperazin-1-yl]-phenyl}-methanesulfonamide
CID 14739897
(S)-1-(4-Methanesulfonamidophenoxy)-3-(3,4-dimethylphenylethylamino)-2-propanol
CID 25107695

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).