5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide

C12H14N2O3S2 — CID 47389535

IUPAC5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)s1
InChIInChI=1S/C12H14N2O3S2/c1-3-10-5-7-12(18-10)19(16,17)13-9-4-6-11(15)14(2)8-9/h4-8,13H,3H2,1-2H3
InChIKeyPEFCFRKVTGBKQD-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.81
Rot. Bonds4

About 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide

5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide (PubChem CID 47389535) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide
PubChem CID47389535
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)s1
InChIInChI=1S/C12H14N2O3S2/c1-3-10-5-7-12(18-10)19(16,17)13-9-4-6-11(15)14(2)8-9/h4-8,13H,3H2,1-2H3
InChIKeyPEFCFRKVTGBKQD-UHFFFAOYSA-N
XLogP1.81
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
CID 21227284
5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
CID 71906077
5-(5-Ethyl-2-methyl-6-oxo-1,6-dihydropyridin-3-yl)thiophene-2-sulfonic acid (3-dimethylaminopropyl)amide hydrochloride
CID 11539008
N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11539009
5-(5-Ethyl-2-methyl-6-oxo-1,6-dihydropyridin-3-yl)thiophene-2-sulfonic acid dimethylamide
CID 11631241
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 58808548
N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 58808641
N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 58808737
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-propylthiophene-2-sulfonamide
CID 68165649
5-(5-Ethyl-2-methyl-6-oxo-1,6-dihydropyridin-3-yl)-thiophene-2-sulfonic acid (3-diethylaminopropyl)amide hydrochloride
CID 71082844
2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide
CID 163593990
6-oxo-N-(2-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 43629210

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide (CID 47389535) is 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)s1.
What is the InChIKey of 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is PEFCFRKVTGBKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-3-10-5-7-12(18-10)19(16,17)13-9-4-6-11(15)14(2)8-9/h4-8,13H,3H2,1-2H3.
What are the key properties of 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide?
5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 47389535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).