N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C28H27N5O4S — CID 5099693

About N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 5099693) has the molecular formula C28H27N5O4S and a molecular weight of 529.62 g/mol. Its IUPAC name is N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 5099693
• Molecular Formula: C28H27N5O4S
• Molecular Weight: 529.62 g/mol
• Exact Mass: 529.18
• IUPAC Name: N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CSc4nnc(-c5ccccc5)o4)cc3)CC2)cc1
• InChI: InChI=1S/C28H27N5O4S/c1-36-24-13-7-21(8-14-24)27(35)33-17-15-32(16-18-33)23-11-9-22(10-12-23)29-25(34)19-38-28-31-30-26(37-28)20-5-3-2-4-6-20/h2-14H,15-19H2,1H3,(H,29,34)
• InChIKey: FMOOYEGZCLCLHW-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.62
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 5099693) is N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CSc4nnc(-c5ccccc5)o4)cc3)CC2)cc1.

What is the InChIKey of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is FMOOYEGZCLCLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4S/c1-36-24-13-7-21(8-14-24)27(35)33-17-15-32(16-18-33)23-11-9-22(10-12-23)29-25(34)19-38-28-31-30-26(37-28)20-5-3-2-4-6-20/h2-14H,15-19H2,1H3,(H,29,34).

What are the key properties of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 529.62 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 5099693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).