N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide

C20H26N4O3S — CID 135415466

About N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide

N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 135415466) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
• PubChem CID: 135415466
• Molecular Formula: C20H26N4O3S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.17
• IUPAC Name: N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
• SMILES: CCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccccc2CC)n1
• InChI: InChI=1S/C20H26N4O3S/c1-4-8-15-11-17(25)23-20(21-15)28-13-19(27)24(3)12-18(26)22-16-10-7-6-9-14(16)5-2/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,22,26)(H,21,23,25)
• InChIKey: KEGXLSHDFMATSU-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide?

The IUPAC name of N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide (CID 135415466) is N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide.

What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide?

The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccccc2CC)n1.

What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide?

The InChIKey is KEGXLSHDFMATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-4-8-15-11-17(25)23-20(21-15)28-13-19(27)24(3)12-18(26)22-16-10-7-6-9-14(16)5-2/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,22,26)(H,21,23,25).

What are the key properties of N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide?

N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 135415466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).