2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

C25H30N4O5S — CID 100796519

About 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 100796519) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
• PubChem CID: 100796519
• Molecular Formula: C25H30N4O5S
• Molecular Weight: 498.61 g/mol
• Exact Mass: 498.19
• IUPAC Name: 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
• SMILES: Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1
• InChI: InChI=1S/C25H30N4O5S/c1-17(2)25-27-23(28-34-25)15-19-6-8-20(9-7-19)26-24(30)16-33-22-11-10-21(14-18(22)3)35(31,32)29-12-4-5-13-29/h6-11,14,17H,4-5,12-13,15-16H2,1-3H3,(H,26,30)
• InChIKey: WXECZMYWOWTBAV-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.61
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (CID 100796519) is 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1.

What is the InChIKey of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The InChIKey is WXECZMYWOWTBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-17(2)25-27-23(28-34-25)15-19-6-8-20(9-7-19)26-24(30)16-33-22-11-10-21(14-18(22)3)35(31,32)29-12-4-5-13-29/h6-11,14,17H,4-5,12-13,15-16H2,1-3H3,(H,26,30).

What are the key properties of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide has a molecular weight of 498.61 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 100796519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).