N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C24H28N4O4S2 — CID 43975521

About N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 43975521) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
• PubChem CID: 43975521
• Molecular Formula: C24H28N4O4S2
• Molecular Weight: 500.65 g/mol
• Exact Mass: 500.16
• IUPAC Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
• SMILES: CCSc1ccc(Cc2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)o2)cc1
• InChI: InChI=1S/C24H28N4O4S2/c1-3-33-20-10-8-18(9-11-20)15-22-26-27-24(32-22)25-23(29)19-5-4-14-28(16-19)34(30,31)21-12-6-17(2)7-13-21/h6-13,19H,3-5,14-16H2,1-2H3,(H,25,27,29)
• InChIKey: ARUAKCYMZVSIKI-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.65
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 43975521) is N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

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

The canonical SMILES for N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is CCSc1ccc(Cc2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)o2)cc1.

What is the InChIKey of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?

The InChIKey is ARUAKCYMZVSIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2/c1-3-33-20-10-8-18(9-11-20)15-22-26-27-24(32-22)25-23(29)19-5-4-14-28(16-19)34(30,31)21-12-6-17(2)7-13-21/h6-13,19H,3-5,14-16H2,1-2H3,(H,25,27,29).

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

N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 500.65 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43975521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).