1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea

C20H22N8O4S — CID 155521930

IUPAC1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N8O4S/c21-33(30,31)16-8-6-15(7-9-16)23-20(29)27-18-24-17(22-14-4-2-1-3-5-14)25-19(26-18)28-10-12-32-13-11-28/h1-9H,10-13H2,(H2,21,30,31)(H3,22,23,24,25,26,27,29)
InChIKeyZIUYXSVLMAPJBA-UHFFFAOYSA-N
MW470.52 g/mol
LogP1.74
Rot. Bonds6

About 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea

1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea (PubChem CID 155521930) has the molecular formula C20H22N8O4S and a molecular weight of 470.52 g/mol. Its IUPAC name is 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea
PubChem CID155521930
Molecular FormulaC20H22N8O4S
Molecular Weight470.52 g/mol
Exact Mass470.15
IUPAC Name1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N8O4S/c21-33(30,31)16-8-6-15(7-9-16)23-20(29)27-18-24-17(22-14-4-2-1-3-5-14)25-19(26-18)28-10-12-32-13-11-28/h1-9H,10-13H2,(H2,21,30,31)(H3,22,23,24,25,26,27,29)
InChIKeyZIUYXSVLMAPJBA-UHFFFAOYSA-N
XLogP1.74
TPSA164.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea (CID 155521930) is 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is ZIUYXSVLMAPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O4S/c21-33(30,31)16-8-6-15(7-9-16)23-20(29)27-18-24-17(22-14-4-2-1-3-5-14)25-19(26-18)28-10-12-32-13-11-28/h1-9H,10-13H2,(H2,21,30,31)(H3,22,23,24,25,26,27,29).
What are the key properties of 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea?
1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 470.52 g/mol, XLogP of 1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 155521930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).