4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C22H24N4O4S2 — CID 41028179

About 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 41028179) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 41028179
• Molecular Formula: C22H24N4O4S2
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.12
• IUPAC Name: 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CSc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)o2)cc1
• InChI: InChI=1S/C22H24N4O4S2/c1-15-5-3-4-14-26(15)32(28,29)19-12-8-16(9-13-19)20(27)23-22-25-24-21(30-22)17-6-10-18(31-2)11-7-17/h6-13,15H,3-5,14H2,1-2H3,(H,23,25,27)/t15-/m0/s1
• InChIKey: XWCVXWDANRMGGG-HNNXBMFYSA-N
• XLogP: 4.27
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 41028179) is 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CSc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)o2)cc1.

What is the InChIKey of 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is XWCVXWDANRMGGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-15-5-3-4-14-26(15)32(28,29)19-12-8-16(9-13-19)20(27)23-22-25-24-21(30-22)17-6-10-18(31-2)11-7-17/h6-13,15H,3-5,14H2,1-2H3,(H,23,25,27)/t15-/m0/s1.

What are the key properties of 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 41028179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).