1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C25H30N4O7S2 — CID 43974956

About 1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 43974956) has the molecular formula C25H30N4O7S2 and a molecular weight of 562.67 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 43974956
• Molecular Formula: C25H30N4O7S2
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.16
• IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(Cc4ccc(S(=O)(=O)C(C)C)cc4)o3)CC2)cc1
• InChI: InChI=1S/C25H30N4O7S2/c1-17(2)37(31,32)21-8-4-18(5-9-21)16-23-27-28-25(36-23)26-24(30)19-12-14-29(15-13-19)38(33,34)22-10-6-20(35-3)7-11-22/h4-11,17,19H,12-16H2,1-3H3,(H,26,28,30)
• InChIKey: DFGMKYIKVSRDIY-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 148.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.67
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 43974956) is 1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(Cc4ccc(S(=O)(=O)C(C)C)cc4)o3)CC2)cc1.

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

The InChIKey is DFGMKYIKVSRDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O7S2/c1-17(2)37(31,32)21-8-4-18(5-9-21)16-23-27-28-25(36-23)26-24(30)19-12-14-29(15-13-19)38(33,34)22-10-6-20(35-3)7-11-22/h4-11,17,19H,12-16H2,1-3H3,(H,26,28,30).

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

1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 562.67 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 43974956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).