1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

C15H19N5O6S — CID 70498319

About 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (PubChem CID 70498319) has the molecular formula C15H19N5O6S and a molecular weight of 397.41 g/mol. Its IUPAC name is 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.

Molecular Properties

• Compound Name: 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
• PubChem CID: 70498319
• Molecular Formula: C15H19N5O6S
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.11
• IUPAC Name: 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
• SMILES: CCOc1cccc(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)c1OC
• InChI: InChI=1S/C15H19N5O6S/c1-5-26-10-7-6-8-11(12(10)24-3)27(22,23)20-14(21)18-13-16-9(2)17-15(19-13)25-4/h6-8H,5H2,1-4H3,(H2,16,17,18,19,20,21)
• InChIKey: HSBQMDQLQIWBSN-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 141.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?

The IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (CID 70498319) is 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.

What is the SMILES notation for 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?

The canonical SMILES for 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea is CCOc1cccc(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)c1OC.

What is the InChIKey of 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?

The InChIKey is HSBQMDQLQIWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O6S/c1-5-26-10-7-6-8-11(12(10)24-3)27(22,23)20-14(21)18-13-16-9(2)17-15(19-13)25-4/h6-8H,5H2,1-4H3,(H2,16,17,18,19,20,21).

What are the key properties of 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?

1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea has a molecular weight of 397.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 70498319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).