5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C16H22N4O4S2 — CID 131963977

About 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 131963977) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
• PubChem CID: 131963977
• Molecular Formula: C16H22N4O4S2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.11
• IUPAC Name: 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
• SMILES: CC(=O)N1CCc2sc(S(=O)(=O)Nc3nnc(CCC(C)C)o3)cc2C1
• InChI: InChI=1S/C16H22N4O4S2/c1-10(2)4-5-14-17-18-16(24-14)19-26(22,23)15-8-12-9-20(11(3)21)7-6-13(12)25-15/h8,10H,4-7,9H2,1-3H3,(H,18,19)
• InChIKey: CXWWYEOKCDOAKZ-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?

The IUPAC name of 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 131963977) is 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

What is the SMILES notation for 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?

The canonical SMILES for 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CC(=O)N1CCc2sc(S(=O)(=O)Nc3nnc(CCC(C)C)o3)cc2C1.

What is the InChIKey of 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?

The InChIKey is CXWWYEOKCDOAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-10(2)4-5-14-17-18-16(24-14)19-26(22,23)15-8-12-9-20(11(3)21)7-6-13(12)25-15/h8,10H,4-7,9H2,1-3H3,(H,18,19).

What are the key properties of 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?

5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 398.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 131963977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).