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

C17H18N2O4S2 — CID 58808571

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCc3ccco3)s2)c(C)[nH]c1=O
InChIInChI=1S/C17H18N2O4S2/c1-3-12-9-14(11(2)19-17(12)20)15-6-7-16(24-15)25(21,22)18-10-13-5-4-8-23-13/h4-9,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyXMLCYRKJQDERPQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.05
Rot. Bonds6

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

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 58808571) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID58808571
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCc3ccco3)s2)c(C)[nH]c1=O
InChIInChI=1S/C17H18N2O4S2/c1-3-12-9-14(11(2)19-17(12)20)15-6-7-16(24-15)25(21,22)18-10-13-5-4-8-23-13/h4-9,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyXMLCYRKJQDERPQ-UHFFFAOYSA-N
XLogP3.05
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)thiophene-2-sulfonyl chloride
CID 86610352
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 58808634
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 58808675
N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 86610353
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 11705027
3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one
CID 58808576
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
5-(5-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 71110949
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 11699320
N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11533544
N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11698515

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (CID 58808571) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NCc3ccco3)s2)c(C)[nH]c1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is XMLCYRKJQDERPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-3-12-9-14(11(2)19-17(12)20)15-6-7-16(24-15)25(21,22)18-10-13-5-4-8-23-13/h4-9,18H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.05, 6 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-(furan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 58808571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).