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

C22H19N3O3S2 — CID 4022735

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

N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4022735) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 4022735
• Molecular Formula: C22H19N3O3S2
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.09
• IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: COc1ccc(C)cc1NC(=O)C(Sc1nnc(-c2cccs2)o1)c1ccccc1
• InChI: InChI=1S/C22H19N3O3S2/c1-14-10-11-17(27-2)16(13-14)23-20(26)19(15-7-4-3-5-8-15)30-22-25-24-21(28-22)18-9-6-12-29-18/h3-13,19H,1-2H3,(H,23,26)
• InChIKey: ZHPXFSJEEHNCJV-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4022735) is N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccc(C)cc1NC(=O)C(Sc1nnc(-c2cccs2)o1)c1ccccc1.

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

The InChIKey is ZHPXFSJEEHNCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-14-10-11-17(27-2)16(13-14)23-20(26)19(15-7-4-3-5-8-15)30-22-25-24-21(28-22)18-9-6-12-29-18/h3-13,19H,1-2H3,(H,23,26).

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

N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 437.55 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4022735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).