N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide

C22H25N3O3S — CID 9281334

IUPACN-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)nc1
InChIInChI=1S/C22H25N3O3S/c1-3-25(19-7-5-4-6-8-19)29(26,27)21-13-14-22(24-17-21)23-16-15-18-9-11-20(28-2)12-10-18/h4-14,17H,3,15-16H2,1-2H3,(H,23,24)
InChIKeyWKICJJBLJDXITF-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.96
Rot. Bonds9

About N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide (PubChem CID 9281334) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
PubChem CID9281334
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)nc1
InChIInChI=1S/C22H25N3O3S/c1-3-25(19-7-5-4-6-8-19)29(26,27)21-13-14-22(24-17-21)23-16-15-18-9-11-20(28-2)12-10-18/h4-14,17H,3,15-16H2,1-2H3,(H,23,24)
InChIKeyWKICJJBLJDXITF-UHFFFAOYSA-N
XLogP3.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
6-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 17490524
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
2-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112895391
N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
CID 60502755
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide
CID 112840794
N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
CID 5268347
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide (CID 9281334) is N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)nc1.
What is the InChIKey of N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide?
The InChIKey is WKICJJBLJDXITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-25(19-7-5-4-6-8-19)29(26,27)21-13-14-22(24-17-21)23-16-15-18-9-11-20(28-2)12-10-18/h4-14,17H,3,15-16H2,1-2H3,(H,23,24).
What are the key properties of N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide has a molecular weight of 411.53 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 9281334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).