2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C21H23N5O3S2 — CID 24681474

About 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 24681474) has the molecular formula C21H23N5O3S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• PubChem CID: 24681474
• Molecular Formula: C21H23N5O3S2
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.12
• IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc2ccc(OCC)cc2[nH]1
• InChI: InChI=1S/C21H23N5O3S2/c1-3-9-26(12-18-24-25-20(29-18)17-6-5-10-30-17)19(27)13-31-21-22-15-8-7-14(28-4-2)11-16(15)23-21/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,22,23)
• InChIKey: GDVNMWJGUYCWJL-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 97.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 24681474) is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc2ccc(OCC)cc2[nH]1.

What is the InChIKey of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The InChIKey is GDVNMWJGUYCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S2/c1-3-9-26(12-18-24-25-20(29-18)17-6-5-10-30-17)19(27)13-31-21-22-15-8-7-14(28-4-2)11-16(15)23-21/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,22,23).

What are the key properties of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 457.58 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 24681474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).