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

C19H20N4O4S2 — CID 53127440

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

N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 53127440) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
• PubChem CID: 53127440
• Molecular Formula: C19H20N4O4S2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.09
• IUPAC Name: N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
• SMILES: Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)c1
• InChI: InChI=1S/C19H20N4O4S2/c1-12-7-13(2)9-15(8-12)22-29(25,26)16-10-14(11-28-16)17-20-21-18(27-17)19(24)23-5-3-4-6-23/h7-11,22H,3-6H2,1-2H3
• InChIKey: PQDBMQXKXLXUBM-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (CID 53127440) is N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

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

The canonical SMILES for N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)c1.

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

The InChIKey is PQDBMQXKXLXUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-12-7-13(2)9-15(8-12)22-29(25,26)16-10-14(11-28-16)17-20-21-18(27-17)19(24)23-5-3-4-6-23/h7-11,22H,3-6H2,1-2H3.

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

N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 432.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53127440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).