N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide

C18H25N3O5S2 — CID 10455225

IUPACN-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCNCCOc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H25N3O5S2/c1-27(22,23)20-16-5-3-15(4-6-16)11-12-19-13-14-26-18-9-7-17(8-10-18)21-28(2,24)25/h3-10,19-21H,11-14H2,1-2H3
InChIKeyJITIJIUDNAYXKK-UHFFFAOYSA-N
MW427.55 g/mol
LogP1.64
Rot. Bonds11

About N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 10455225) has the molecular formula C18H25N3O5S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide
PubChem CID10455225
Molecular FormulaC18H25N3O5S2
Molecular Weight427.55 g/mol
Exact Mass427.12
IUPAC NameN-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCNCCOc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H25N3O5S2/c1-27(22,23)20-16-5-3-15(4-6-16)11-12-19-13-14-26-18-9-7-17(8-10-18)21-28(2,24)25/h3-10,19-21H,11-14H2,1-2H3
InChIKeyJITIJIUDNAYXKK-UHFFFAOYSA-N
XLogP1.64
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dofetilide
CID 71329
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
N-(4-phenylmethoxyphenyl)methanesulfonamide
CID 669037
N-[4-[2-[benzyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 10006804
2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 11056631
2-(4-tert-Butylphenoxy)-N-((1R)-1-{4-[(methylsulfonyl)amino]phenyl}ethyl)acetamide
CID 11682865
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-({2-Hydroxy-3-[4-(2-methoxy-ethyl)-phenoxy]-propylamino}-methyl)-phenyl]-methanesulfonamide
CID 14739891
(S)-1-(4-Methanesulfonamidophenoxy)-3-(3,4-dimethylphenylethylamino)-2-propanol
CID 25107695
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide (CID 10455225) is N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CCNCCOc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is JITIJIUDNAYXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S2/c1-27(22,23)20-16-5-3-15(4-6-16)11-12-19-13-14-26-18-9-7-17(8-10-18)21-28(2,24)25/h3-10,19-21H,11-14H2,1-2H3.
What are the key properties of N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 427.55 g/mol, XLogP of 1.64, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10455225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).