5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide

C20H27FN2O5S — CID 67896034

IUPAC5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(CC(C)NCCOc2cccc(F)c2OC)ccc1OC
InChIInChI=1S/C20H27FN2O5S/c1-14(23-10-11-28-18-7-5-6-16(21)20(18)27-4)12-15-8-9-17(26-3)19(13-15)29(24,25)22-2/h5-9,13-14,22-23H,10-12H2,1-4H3
InChIKeyDFFKAQFPEBXQTA-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.35
Rot. Bonds11

About 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide

5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 67896034) has the molecular formula C20H27FN2O5S and a molecular weight of 426.51 g/mol. Its IUPAC name is 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide
PubChem CID67896034
Molecular FormulaC20H27FN2O5S
Molecular Weight426.51 g/mol
Exact Mass426.16
IUPAC Name5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(CC(C)NCCOc2cccc(F)c2OC)ccc1OC
InChIInChI=1S/C20H27FN2O5S/c1-14(23-10-11-28-18-7-5-6-16(21)20(18)27-4)12-15-8-9-17(26-3)19(13-15)29(24,25)22-2/h5-9,13-14,22-23H,10-12H2,1-4H3
InChIKeyDFFKAQFPEBXQTA-UHFFFAOYSA-N
XLogP2.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 70876190
5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 67896278
N-[2-(2-methoxyphenoxy)ethyl]-1-(4-methoxy-3-propan-2-ylsulfonylphenyl)propan-2-amine
CID 14676142
N-chloro-5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydrate
CID 87960691
5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydron;chloride
CID 74393239
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599
2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
CID 96869335
5-[2-[4-(5-fluoro-2-methoxyphenoxy)butylamino]propyl]-2-methoxybenzenesulfonamide
CID 15034474
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
5-[2-[2-(2-ethoxy-5-fluorophenoxy)ethylamino]propyl]-2-methoxy-N,N-dimethylbenzenesulfonamide;oxalic acid
CID 22157080
N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine
CID 22157047
1-(4-methoxy-3-methylsulfanylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine;oxalic acid
CID 13178889

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide (CID 67896034) is 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(CC(C)NCCOc2cccc(F)c2OC)ccc1OC.
What is the InChIKey of 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is DFFKAQFPEBXQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O5S/c1-14(23-10-11-28-18-7-5-6-16(21)20(18)27-4)12-15-8-9-17(26-3)19(13-15)29(24,25)22-2/h5-9,13-14,22-23H,10-12H2,1-4H3.
What are the key properties of 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide?
5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 426.51 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 67896034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).