ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate

C19H21N3O5S — CID 20927352

IUPACethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2cccc(-c3ccno3)c2)c(C)n(C)c1C
InChIInChI=1S/C19H21N3O5S/c1-5-26-19(23)17-12(2)22(4)13(3)18(17)28(24,25)21-15-8-6-7-14(11-15)16-9-10-20-27-16/h6-11,21H,5H2,1-4H3
InChIKeyAHYGZAHAWUKJIQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.27
Rot. Bonds6

About ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate

ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate (PubChem CID 20927352) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
PubChem CID20927352
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Nameethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2cccc(-c3ccno3)c2)c(C)n(C)c1C
InChIInChI=1S/C19H21N3O5S/c1-5-26-19(23)17-12(2)22(4)13(3)18(17)28(24,25)21-15-8-6-7-14(11-15)16-9-10-20-27-16/h6-11,21H,5H2,1-4H3
InChIKeyAHYGZAHAWUKJIQ-UHFFFAOYSA-N
XLogP3.27
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate (CID 20927352) is ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)Nc2cccc(-c3ccno3)c2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate?
The InChIKey is AHYGZAHAWUKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-5-26-19(23)17-12(2)22(4)13(3)18(17)28(24,25)21-15-8-6-7-14(11-15)16-9-10-20-27-16/h6-11,21H,5H2,1-4H3.
What are the key properties of ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate has a molecular weight of 403.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethyl-4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate is sourced from PubChem (CID 20927352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).