(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

C24H28N4O4S — CID 92731305

About (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 92731305) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
• PubChem CID: 92731305
• Molecular Formula: C24H28N4O4S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.18
• IUPAC Name: (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
• SMILES: Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4ccccc4)C3)c2)no1
• InChI: InChI=1S/C24H28N4O4S/c1-17-10-11-20(23-26-18(2)32-27-23)15-22(17)33(30,31)28-14-6-9-21(16-28)24(29)25-13-12-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,21H,6,9,12-14,16H2,1-2H3,(H,25,29)/t21-/m0/s1
• InChIKey: FDJVXYWJBQRLOV-NRFANRHFSA-N
• XLogP: 3.11
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (CID 92731305) is (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4ccccc4)C3)c2)no1.

What is the InChIKey of (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?

The InChIKey is FDJVXYWJBQRLOV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17-10-11-20(23-26-18(2)32-27-23)15-22(17)33(30,31)28-14-6-9-21(16-28)24(29)25-13-12-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,21H,6,9,12-14,16H2,1-2H3,(H,25,29)/t21-/m0/s1.

What are the key properties of (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?

(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92731305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).