2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide

C19H28N6O3S — CID 18276144

About 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 18276144) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
• PubChem CID: 18276144
• Molecular Formula: C19H28N6O3S
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.19
• IUPAC Name: 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
• SMILES: CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2ccncc2)n1CCOC
• InChI: InChI=1S/C19H28N6O3S/c1-5-24(12-16(26)21-14(2)3)17(27)13-29-19-23-22-18(25(19)10-11-28-4)15-6-8-20-9-7-15/h6-9,14H,5,10-13H2,1-4H3,(H,21,26)
• InChIKey: ZFMUYKXHINEXJF-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?

The IUPAC name of 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide (CID 18276144) is 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2ccncc2)n1CCOC.

What is the InChIKey of 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?

The InChIKey is ZFMUYKXHINEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c1-5-24(12-16(26)21-14(2)3)17(27)13-29-19-23-22-18(25(19)10-11-28-4)15-6-8-20-9-7-15/h6-9,14H,5,10-13H2,1-4H3,(H,21,26).

What are the key properties of 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?

2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 420.54 g/mol, XLogP of 1.45, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 18276144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).