5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide

C18H25N3O4S2 — CID 11705027

About 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide (PubChem CID 11705027) has the molecular formula C18H25N3O4S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
• PubChem CID: 11705027
• Molecular Formula: C18H25N3O4S2
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.13
• IUPAC Name: 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
• SMILES: CCc1cc(-c2ccc(S(=O)(=O)NCCN3CCOCC3)s2)c(C)[nH]c1=O
• InChI: InChI=1S/C18H25N3O4S2/c1-3-14-12-15(13(2)20-18(14)22)16-4-5-17(26-16)27(23,24)19-6-7-21-8-10-25-11-9-21/h4-5,12,19H,3,6-11H2,1-2H3,(H,20,22)
• InChIKey: WDLVZGIYPNBBGZ-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 91.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?

The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide (CID 11705027) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide.

What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?

The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NCCN3CCOCC3)s2)c(C)[nH]c1=O.

What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?

The InChIKey is WDLVZGIYPNBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S2/c1-3-14-12-15(13(2)20-18(14)22)16-4-5-17(26-16)27(23,24)19-6-7-21-8-10-25-11-9-21/h4-5,12,19H,3,6-11H2,1-2H3,(H,20,22).

What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide has a molecular weight of 411.55 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-morpholin-4-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 11705027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).