N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

C22H28N4O2S — CID 18088478

About N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 18088478) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• PubChem CID: 18088478
• Molecular Formula: C22H28N4O2S
• Molecular Weight: 412.56 g/mol
• Exact Mass: 412.19
• IUPAC Name: N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• SMILES: CCCN(CC(=O)NC(C)c1ccc(CC)cc1)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C22H28N4O2S/c1-4-12-26(15-21-24-25-22(28-21)19-7-6-13-29-19)14-20(27)23-16(3)18-10-8-17(5-2)9-11-18/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H,23,27)
• InChIKey: FDPUJJQIESTAIZ-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.56
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 18088478) is N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

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

The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CCCN(CC(=O)NC(C)c1ccc(CC)cc1)Cc1nnc(-c2cccs2)o1.

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

The InChIKey is FDPUJJQIESTAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-4-12-26(15-21-24-25-22(28-21)19-7-6-13-29-19)14-20(27)23-16(3)18-10-8-17(5-2)9-11-18/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H,23,27).

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

N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 412.56 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 18088478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).