2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide

C15H20F3N3O2S — CID 41481145

About 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 41481145) has the molecular formula C15H20F3N3O2S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
• PubChem CID: 41481145
• Molecular Formula: C15H20F3N3O2S
• Molecular Weight: 363.41 g/mol
• Exact Mass: 363.12
• IUPAC Name: 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
• SMILES: CCN(CC(=O)NC(C)C)C(=O)CSc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C15H20F3N3O2S/c1-4-21(8-12(22)20-10(2)3)14(23)9-24-13-6-5-11(7-19-13)15(16,17)18/h5-7,10H,4,8-9H2,1-3H3,(H,20,22)
• InChIKey: UCNZRXQOEJLSRX-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.41
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?

The IUPAC name of 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide (CID 41481145) is 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CSc1ccc(C(F)(F)F)cn1.

What is the InChIKey of 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?

The InChIKey is UCNZRXQOEJLSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2S/c1-4-21(8-12(22)20-10(2)3)14(23)9-24-13-6-5-11(7-19-13)15(16,17)18/h5-7,10H,4,8-9H2,1-3H3,(H,20,22).

What are the key properties of 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?

2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 363.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 41481145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).