ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate

C16H24N4O5S — CID 135717572

About ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate

ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate (PubChem CID 135717572) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate
• PubChem CID: 135717572
• Molecular Formula: C16H24N4O5S
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.15
• IUPAC Name: ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate
• SMILES: CCCc1cc(=O)[nH]c(SCC(=O)N(CC)CC(=O)NC(=O)OCC)n1
• InChI: InChI=1S/C16H24N4O5S/c1-4-7-11-8-12(21)18-15(17-11)26-10-14(23)20(5-2)9-13(22)19-16(24)25-6-3/h8H,4-7,9-10H2,1-3H3,(H,17,18,21)(H,19,22,24)
• InChIKey: OBCGTNMDMGKAND-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 121.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate (CID 135717572) is ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate.

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

The canonical SMILES for ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate is CCCc1cc(=O)[nH]c(SCC(=O)N(CC)CC(=O)NC(=O)OCC)n1.

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

The InChIKey is OBCGTNMDMGKAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-4-7-11-8-12(21)18-15(17-11)26-10-14(23)20(5-2)9-13(22)19-16(24)25-6-3/h8H,4-7,9-10H2,1-3H3,(H,17,18,21)(H,19,22,24).

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

ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate has a molecular weight of 384.46 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[ethyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate is sourced from PubChem (CID 135717572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).