N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide

C20H22N4O4S2 — CID 95850290

About N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide

N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide (PubChem CID 95850290) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide
• PubChem CID: 95850290
• Molecular Formula: C20H22N4O4S2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.11
• IUPAC Name: N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide
• SMILES: CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1
• InChI: InChI=1S/C20H22N4O4S2/c1-21-30(26,27)16-7-4-14(5-8-16)6-9-18(25)24-11-10-15(13-24)19-22-23-20(28-19)17-3-2-12-29-17/h2-5,7-8,12,15,21H,6,9-11,13H2,1H3/t15-/m1/s1
• InChIKey: GNMFEGDNQUIIPM-OAHLLOKOSA-N
• XLogP: 2.65
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide?

The IUPAC name of N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide (CID 95850290) is N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide.

What is the SMILES notation for N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide?

The canonical SMILES for N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1.

What is the InChIKey of N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide?

The InChIKey is GNMFEGDNQUIIPM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-21-30(26,27)16-7-4-14(5-8-16)6-9-18(25)24-11-10-15(13-24)19-22-23-20(28-19)17-3-2-12-29-17/h2-5,7-8,12,15,21H,6,9-11,13H2,1H3/t15-/m1/s1.

What are the key properties of N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide?

N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide has a molecular weight of 446.55 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 95850290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).