N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide

C26H18N4O4S — CID 3129605

About N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide

N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 3129605) has the molecular formula C26H18N4O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
• PubChem CID: 3129605
• Molecular Formula: C26H18N4O4S
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.10
• IUPAC Name: N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
• SMILES: O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)N(c1ccccc1)c1ccc2ccccc2c1
• InChI: InChI=1S/C26H18N4O4S/c31-24(17-35-26-28-27-25(34-26)20-9-6-12-23(16-20)30(32)33)29(21-10-2-1-3-11-21)22-14-13-18-7-4-5-8-19(18)15-22/h1-16H,17H2
• InChIKey: UIVXUBOHXNEVQE-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 102.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?

The IUPAC name of N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (CID 3129605) is N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.

What is the SMILES notation for N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?

The canonical SMILES for N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)N(c1ccccc1)c1ccc2ccccc2c1.

What is the InChIKey of N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?

The InChIKey is UIVXUBOHXNEVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O4S/c31-24(17-35-26-28-27-25(34-26)20-9-6-12-23(16-20)30(32)33)29(21-10-2-1-3-11-21)22-14-13-18-7-4-5-8-19(18)15-22/h1-16H,17H2.

What are the key properties of N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?

N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 482.52 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 3129605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).