2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide

C25H30N2O5S — CID 50905585

IUPAC2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C25H30N2O5S/c1-19(16-21-12-13-24(30-2)25(17-21)33(26,28)29)27-14-15-31-22-10-6-7-11-23(22)32-18-20-8-4-3-5-9-20/h3-13,17,19,27H,14-16,18H2,1-2H3,(H2,26,28,29)/t19-/m1/s1
InChIKeyZGUOYAOEHJPFST-LJQANCHMSA-N
MW470.59 g/mol
LogP3.52
Rot. Bonds12

About 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide

2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide (PubChem CID 50905585) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide
PubChem CID50905585
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC Name2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C25H30N2O5S/c1-19(16-21-12-13-24(30-2)25(17-21)33(26,28)29)27-14-15-31-22-10-6-7-11-23(22)32-18-20-8-4-3-5-9-20/h3-13,17,19,27H,14-16,18H2,1-2H3,(H2,26,28,29)/t19-/m1/s1
InChIKeyZGUOYAOEHJPFST-LJQANCHMSA-N
XLogP3.52
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide (CID 50905585) is 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide is COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide?
The InChIKey is ZGUOYAOEHJPFST-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N2O5S/c1-19(16-21-12-13-24(30-2)25(17-21)33(26,28)29)27-14-15-31-22-10-6-7-11-23(22)32-18-20-8-4-3-5-9-20/h3-13,17,19,27H,14-16,18H2,1-2H3,(H2,26,28,29)/t19-/m1/s1.
What are the key properties of 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide?
2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide has a molecular weight of 470.59 g/mol, XLogP of 3.52, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide is sourced from PubChem (CID 50905585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).