N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide

C18H19N3O2S2 — CID 9111880

IUPACN-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccs2)nc1
InChIInChI=1S/C18H19N3O2S2/c1-2-21(15-7-4-3-5-8-15)25(22,23)17-10-11-18(20-14-17)19-13-16-9-6-12-24-16/h3-12,14H,2,13H2,1H3,(H,19,20)
InChIKeyLAWJOZIXXHXAQO-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.97
Rot. Bonds7

About N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide

N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide (PubChem CID 9111880) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
PubChem CID9111880
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccs2)nc1
InChIInChI=1S/C18H19N3O2S2/c1-2-21(15-7-4-3-5-8-15)25(22,23)17-10-11-18(20-14-17)19-13-16-9-6-12-24-16/h3-12,14H,2,13H2,1H3,(H,19,20)
InChIKeyLAWJOZIXXHXAQO-UHFFFAOYSA-N
XLogP3.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.97
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-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2998477
6-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2161417
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 4814342
5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 23848292
N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
CID 60502755
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
CID 9281334

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide (CID 9111880) is N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccs2)nc1.
What is the InChIKey of N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide?
The InChIKey is LAWJOZIXXHXAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-2-21(15-7-4-3-5-8-15)25(22,23)17-10-11-18(20-14-17)19-13-16-9-6-12-24-16/h3-12,14H,2,13H2,1H3,(H,19,20).
What are the key properties of N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide?
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide has a molecular weight of 373.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 9111880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).