N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide

C17H16N4O3S2 — CID 78812898

About N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide

N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 78812898) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

• Compound Name: N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
• PubChem CID: 78812898
• Molecular Formula: C17H16N4O3S2
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.07
• IUPAC Name: N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
• SMILES: CCNC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1
• InChI: InChI=1S/C17H16N4O3S2/c1-2-18-15(23)11-5-3-6-12(9-11)19-14(22)10-26-17-21-20-16(24-17)13-7-4-8-25-13/h3-9H,2,10H2,1H3,(H,18,23)(H,19,22)
• InChIKey: HTMRIUBRFGVHHB-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?

The IUPAC name of N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide (CID 78812898) is N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide.

What is the SMILES notation for N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?

The canonical SMILES for N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1.

What is the InChIKey of N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?

The InChIKey is HTMRIUBRFGVHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-2-18-15(23)11-5-3-6-12(9-11)19-14(22)10-26-17-21-20-16(24-17)13-7-4-8-25-13/h3-9H,2,10H2,1H3,(H,18,23)(H,19,22).

What are the key properties of N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?

N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 78812898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).