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

C12H14N2O3S2 — CID 47072250

IUPAC2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(=O)n(C)c2)c(C)s1
InChIInChI=1S/C12H14N2O3S2/c1-8-6-11(9(2)18-8)19(16,17)13-10-4-5-12(15)14(3)7-10/h4-7,13H,1-3H3
InChIKeyPWQXUDGMSWBVOS-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.86
Rot. Bonds3

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

2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide (PubChem CID 47072250) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
PubChem CID47072250
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(=O)n(C)c2)c(C)s1
InChIInChI=1S/C12H14N2O3S2/c1-8-6-11(9(2)18-8)19(16,17)13-10-4-5-12(15)14(3)7-10/h4-7,13H,1-3H3
InChIKeyPWQXUDGMSWBVOS-UHFFFAOYSA-N
XLogP1.86
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.86
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
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
N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 58808737
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
6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 43629273
6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 43629319
N,N,2-trimethyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 46870927
5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide
CID 47389535
5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide
CID 47389538
N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 51103389

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide (CID 47072250) is 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(=O)n(C)c2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide?
The InChIKey is PWQXUDGMSWBVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-8-6-11(9(2)18-8)19(16,17)13-10-4-5-12(15)14(3)7-10/h4-7,13H,1-3H3.
What are the key properties of 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide is sourced from PubChem (CID 47072250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).