N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide

C16H22N4O4S2 — CID 53127450

About N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide

N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 53127450) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
• PubChem CID: 53127450
• Molecular Formula: C16H22N4O4S2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.11
• IUPAC Name: N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
• SMILES: CCC(C)(C)NS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1
• InChI: InChI=1S/C16H22N4O4S2/c1-4-16(2,3)19-26(22,23)12-9-11(10-25-12)13-17-18-14(24-13)15(21)20-7-5-6-8-20/h9-10,19H,4-8H2,1-3H3
• InChIKey: KQCHWRWNDINEQX-UHFFFAOYSA-N
• XLogP: 2.50
• 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	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?

The IUPAC name of N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (CID 53127450) is N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1.

What is the InChIKey of N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?

The InChIKey is KQCHWRWNDINEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-4-16(2,3)19-26(22,23)12-9-11(10-25-12)13-17-18-14(24-13)15(21)20-7-5-6-8-20/h9-10,19H,4-8H2,1-3H3.

What are the key properties of N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?

N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 398.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53127450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).