N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide

C26H33N3O6S2 — CID 11734297

IUPACN-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(CN(CCOc2ccc(NS(C)(=O)=O)cc2)CCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C26H33N3O6S2/c1-34-25-12-6-22(7-13-25)20-29(17-16-21-4-8-23(9-5-21)27-36(2,30)31)18-19-35-26-14-10-24(11-15-26)28-37(3,32)33/h4-15,27-28H,16-20H2,1-3H3
InChIKeyKHRJMDKBZLDCBK-UHFFFAOYSA-N
MW547.70 g/mol
LogP3.56
Rot. Bonds14

About N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 11734297) has the molecular formula C26H33N3O6S2 and a molecular weight of 547.70 g/mol. Its IUPAC name is N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID11734297
Molecular FormulaC26H33N3O6S2
Molecular Weight547.70 g/mol
Exact Mass547.18
IUPAC NameN-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(CN(CCOc2ccc(NS(C)(=O)=O)cc2)CCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C26H33N3O6S2/c1-34-25-12-6-22(7-13-25)20-29(17-16-21-4-8-23(9-5-21)27-36(2,30)31)18-19-35-26-14-10-24(11-15-26)28-37(3,32)33/h4-15,27-28H,16-20H2,1-3H3
InChIKeyKHRJMDKBZLDCBK-UHFFFAOYSA-N
XLogP3.56
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.70
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

Dofetilide
CID 71329
Methanesulfonamide, N-(4-(2-((2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl)-
CID 10455225
N-[3-Amino-4-(2-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-ethoxy)-phenyl]-methanesulfonamide
CID 9933928
N-[4-[2-[benzyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 10006804
N-[4-({2-Hydroxy-3-[4-(2-methoxy-ethyl)-phenoxy]-propylamino}-methyl)-phenyl]-methanesulfonamide
CID 14739891
N-{3-[[4-(allyloxy)benzyl](benzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18512192
2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]ethanethioamide
CID 87803380
1-(4-aminophenoxy)-2-[N-(4-aminophenethyl)-N-methylamino]ethane
CID 14645098
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide
CID 10073399
N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
CID 10862804
N-[4-[2-[benzyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
CID 10864049
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide
CID 10907557

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide (CID 11734297) is N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide is COc1ccc(CN(CCOc2ccc(NS(C)(=O)=O)cc2)CCc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is KHRJMDKBZLDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O6S2/c1-34-25-12-6-22(7-13-25)20-29(17-16-21-4-8-23(9-5-21)27-36(2,30)31)18-19-35-26-14-10-24(11-15-26)28-37(3,32)33/h4-15,27-28H,16-20H2,1-3H3.
What are the key properties of N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 547.70 g/mol, XLogP of 3.56, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11734297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).