N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C17H22N4O4S2 — CID 135717670

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135717670) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
• PubChem CID: 135717670
• Molecular Formula: C17H22N4O4S2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.11
• IUPAC Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
• SMILES: CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)n1
• InChI: InChI=1S/C17H22N4O4S2/c1-4-5-12-9-15(22)21-17(20-12)26-10-16(23)19-13-7-6-11(2)14(8-13)27(24,25)18-3/h6-9,18H,4-5,10H2,1-3H3,(H,19,23)(H,20,21,22)
• InChIKey: WLTGVJQHKTXQRB-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 121.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135717670) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)n1.

What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?

The InChIKey is WLTGVJQHKTXQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-4-5-12-9-15(22)21-17(20-12)26-10-16(23)19-13-7-6-11(2)14(8-13)27(24,25)18-3/h6-9,18H,4-5,10H2,1-3H3,(H,19,23)(H,20,21,22).

What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135717670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).