5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide

C20H22N2O4S2 — CID 58808634

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCOc3ccccc3)s2)c(C)[nH]c1=O
InChIInChI=1S/C20H22N2O4S2/c1-3-15-13-17(14(2)22-20(15)23)18-9-10-19(27-18)28(24,25)21-11-12-26-16-7-5-4-6-8-16/h4-10,13,21H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyARKZDDLIBWTMAD-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.33
Rot. Bonds8

About 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide (PubChem CID 58808634) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide
PubChem CID58808634
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCOc3ccccc3)s2)c(C)[nH]c1=O
InChIInChI=1S/C20H22N2O4S2/c1-3-15-13-17(14(2)22-20(15)23)18-9-10-19(27-18)28(24,25)21-11-12-26-16-7-5-4-6-8-16/h4-10,13,21H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyARKZDDLIBWTMAD-UHFFFAOYSA-N
XLogP3.33
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-6-methyl-5-[5-[(2-phenoxyethylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one;hydrochloride
CID 67492369
N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 86610353
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 58808571
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 58808675
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 11705027
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride
CID 86610352
N-(1,3-benzodioxol-5-ylmethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 58808742
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride
CID 71082906
N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11533544
5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 3488993
N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 11533543

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide (CID 58808634) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NCCOc3ccccc3)s2)c(C)[nH]c1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide?
The InChIKey is ARKZDDLIBWTMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-3-15-13-17(14(2)22-20(15)23)18-9-10-19(27-18)28(24,25)21-11-12-26-16-7-5-4-6-8-16/h4-10,13,21H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide has a molecular weight of 418.54 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 58808634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).