N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C20H15N3O3S2 — CID 112786196

About N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 112786196) has the molecular formula C20H15N3O3S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 112786196
• Molecular Formula: C20H15N3O3S2
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.06
• IUPAC Name: N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: O=C(CSc1nnc(-c2cccs2)o1)Nc1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C20H15N3O3S2/c24-18(13-28-20-23-22-19(26-20)17-10-5-11-27-17)21-14-6-4-9-16(12-14)25-15-7-2-1-3-8-15/h1-12H,13H2,(H,21,24)
• InChIKey: XBCGYSUPHDFWCA-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 112786196) is N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccs2)o1)Nc1cccc(Oc2ccccc2)c1.

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

The InChIKey is XBCGYSUPHDFWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S2/c24-18(13-28-20-23-22-19(26-20)17-10-5-11-27-17)21-14-6-4-9-16(12-14)25-15-7-2-1-3-8-15/h1-12H,13H2,(H,21,24).

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

N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-phenoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 112786196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).