1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

C24H28N4O6S2 — CID 43974969

About 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 43974969) has the molecular formula C24H28N4O6S2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 43974969
• Molecular Formula: C24H28N4O6S2
• Molecular Weight: 532.64 g/mol
• Exact Mass: 532.15
• IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(Cc3ccc(S(=O)(=O)C(C)C)cc3)o2)cc1
• InChI: InChI=1S/C24H28N4O6S2/c1-16(2)35(30,31)19-12-8-18(9-13-19)15-22-26-27-24(34-22)25-23(29)21-5-4-14-28(21)36(32,33)20-10-6-17(3)7-11-20/h6-13,16,21H,4-5,14-15H2,1-3H3,(H,25,27,29)
• InChIKey: UGAUPIKTGIFPCK-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 139.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.64
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (CID 43974969) is 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(Cc3ccc(S(=O)(=O)C(C)C)cc3)o2)cc1.

What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is UGAUPIKTGIFPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6S2/c1-16(2)35(30,31)19-12-8-18(9-13-19)15-22-26-27-24(34-22)25-23(29)21-5-4-14-28(21)36(32,33)20-10-6-17(3)7-11-20/h6-13,16,21H,4-5,14-15H2,1-3H3,(H,25,27,29).

What are the key properties of 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 532.64 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43974969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).