6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide

C22H25N3O3S — CID 55828070

IUPAC6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCOc1cccc(CNc2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)c1
InChIInChI=1S/C22H25N3O3S/c1-3-25(19-10-6-5-7-11-19)29(26,27)21-13-14-22(24-17-21)23-16-18-9-8-12-20(15-18)28-4-2/h5-15,17H,3-4,16H2,1-2H3,(H,23,24)
InChIKeyVENXTUQUPHVWSB-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.31
Rot. Bonds9

About 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide

6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 55828070) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID55828070
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCOc1cccc(CNc2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)c1
InChIInChI=1S/C22H25N3O3S/c1-3-25(19-10-6-5-7-11-19)29(26,27)21-13-14-22(24-17-21)23-16-18-9-8-12-20(15-18)28-4-2/h5-15,17H,3-4,16H2,1-2H3,(H,23,24)
InChIKeyVENXTUQUPHVWSB-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
CID 60502755
N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
CID 9281334
N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide
CID 112840794
N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 112798825
N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 60570329
6-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55346963
6-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 17490524
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 55828070) is 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide is CCOc1cccc(CNc2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)c1.
What is the InChIKey of 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is VENXTUQUPHVWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-25(19-10-6-5-7-11-19)29(26,27)21-13-14-22(24-17-21)23-16-18-9-8-12-20(15-18)28-4-2/h5-15,17H,3-4,16H2,1-2H3,(H,23,24).
What are the key properties of 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 411.53 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 55828070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).