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

C19H21N3O3S2 — CID 60594041

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

2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 60594041) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• PubChem CID: 60594041
• Molecular Formula: C19H21N3O3S2
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.10
• IUPAC Name: 2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ccccc1OC
• InChI: InChI=1S/C19H21N3O3S2/c1-3-10-22(12-17-20-21-19(25-17)16-9-6-11-26-16)18(23)13-27-15-8-5-4-7-14(15)24-2/h4-9,11H,3,10,12-13H2,1-2H3
• InChIKey: DYQRIFBRXQUAJH-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 68.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 60594041) is 2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ccccc1OC.

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

The InChIKey is DYQRIFBRXQUAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-3-10-22(12-17-20-21-19(25-17)16-9-6-11-26-16)18(23)13-27-15-8-5-4-7-14(15)24-2/h4-9,11H,3,10,12-13H2,1-2H3.

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

2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 60594041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).