N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C15H22N4O2S2 — CID 17398213

About N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17398213) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 17398213
• Molecular Formula: C15H22N4O2S2
• Molecular Weight: 354.50 g/mol
• Exact Mass: 354.12
• IUPAC Name: N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: COCCN(Cc1cccs1)C(=O)CSc1n[nH]c(C(C)C)n1
• InChI: InChI=1S/C15H22N4O2S2/c1-11(2)14-16-15(18-17-14)23-10-13(20)19(6-7-21-3)9-12-5-4-8-22-12/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,17,18)
• InChIKey: IPDRIZRRSRPDGS-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.50
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 17398213) is N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is COCCN(Cc1cccs1)C(=O)CSc1n[nH]c(C(C)C)n1.

What is the InChIKey of N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is IPDRIZRRSRPDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-11(2)14-16-15(18-17-14)23-10-13(20)19(6-7-21-3)9-12-5-4-8-22-12/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,17,18).

What are the key properties of N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?

N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 354.50 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17398213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).