N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C15H19N3O3S — CID 136662359

About N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 136662359) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
• PubChem CID: 136662359
• Molecular Formula: C15H19N3O3S
• Molecular Weight: 321.40 g/mol
• Exact Mass: 321.11
• IUPAC Name: N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
• SMILES: Cc1cc(=O)[nH]c(SC(C)C(=O)NCCc2ccc(C)o2)n1
• InChI: InChI=1S/C15H19N3O3S/c1-9-8-13(19)18-15(17-9)22-11(3)14(20)16-7-6-12-5-4-10(2)21-12/h4-5,8,11H,6-7H2,1-3H3,(H,16,20)(H,17,18,19)
• InChIKey: JLFWUBXRULNXAE-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 87.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.40
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 136662359) is N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is Cc1cc(=O)[nH]c(SC(C)C(=O)NCCc2ccc(C)o2)n1.

What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

The InChIKey is JLFWUBXRULNXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-8-13(19)18-15(17-9)22-11(3)14(20)16-7-6-12-5-4-10(2)21-12/h4-5,8,11H,6-7H2,1-3H3,(H,16,20)(H,17,18,19).

What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 321.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 136662359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).