A1AUE

2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide

Created:	2024-06-05
Last modified:	2024-10-23

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1 entries where A1AUE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	12

2D diagram of A1AUE

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Chemical Component Summary
Name	2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	1-[2-(2-chloroethyloxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Formula	C₁₄ H₁₆ Cl N₅ O₅ S
Molecular Weight	401.825
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1
SMILES	CACTVS	3.385	COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCCl)n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2OCCCl
Canonical SMILES	CACTVS	3.385	COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCCl)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2OCCCl
InChI	InChI	1.06	InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKey	InChI	1.06	XOPFESVZMSQIKC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73282
ChEMBL	CHEMBL1896787
ChEBI	CHEBI:9673

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.