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

C24H27ClN4O4S — CID 43973618

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

1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 43973618) has the molecular formula C24H27ClN4O4S and a molecular weight of 503.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 43973618
• Molecular Formula: C24H27ClN4O4S
• Molecular Weight: 503.02 g/mol
• Exact Mass: 502.14
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• SMILES: CC(C)c1ccc(Cc2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)o2)cc1
• InChI: InChI=1S/C24H27ClN4O4S/c1-16(2)18-7-5-17(6-8-18)14-22-27-28-24(33-22)26-23(30)19-4-3-13-29(15-19)34(31,32)21-11-9-20(25)10-12-21/h5-12,16,19H,3-4,13-15H2,1-2H3,(H,26,28,30)
• InChIKey: PVJWNHZSMHSIKZ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.02
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 43973618) is 1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is CC(C)c1ccc(Cc2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)o2)cc1.

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

The InChIKey is PVJWNHZSMHSIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4S/c1-16(2)18-7-5-17(6-8-18)14-22-27-28-24(33-22)26-23(30)19-4-3-13-29(15-19)34(31,32)21-11-9-20(25)10-12-21/h5-12,16,19H,3-4,13-15H2,1-2H3,(H,26,28,30).

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

1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 503.02 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 43973618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).