N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide

C17H23N3O4S — CID 113029927

IUPACN-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCOc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H23N3O4S/c1-3-12-25(21,22)20-17-9-4-14(13-19-17)18-10-11-24-16-7-5-15(23-2)6-8-16/h4-9,13,18H,3,10-12H2,1-2H3,(H,19,20)
InChIKeyXMTFQPZEUFCIBX-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.73
Rot. Bonds10

About N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide

N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide (PubChem CID 113029927) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
PubChem CID113029927
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCOc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H23N3O4S/c1-3-12-25(21,22)20-17-9-4-14(13-19-17)18-10-11-24-16-7-5-15(23-2)6-8-16/h4-9,13,18H,3,10-12H2,1-2H3,(H,19,20)
InChIKeyXMTFQPZEUFCIBX-UHFFFAOYSA-N
XLogP2.73
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.73
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

N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923
N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020065
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020002
4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide
CID 82034205
4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 113028955
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide (CID 113029927) is N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NCCOc2ccc(OC)cc2)cn1.
What is the InChIKey of N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is XMTFQPZEUFCIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-3-12-25(21,22)20-17-9-4-14(13-19-17)18-10-11-24-16-7-5-15(23-2)6-8-16/h4-9,13,18H,3,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide?
N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113029927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).