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

C19H21N3O5S — CID 20927351

IUPACethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)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)21-15-8-6-14(7-9-15)16-10-11-20-27-16/h6-11,21H,5H2,1-4H3
InChIKeyIIMSFLSNUREPHH-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.27
Rot. Bonds6

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

ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate (PubChem CID 20927351) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
PubChem CID20927351
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Nameethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)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)21-15-8-6-14(7-9-15)16-10-11-20-27-16/h6-11,21H,5H2,1-4H3
InChIKeyIIMSFLSNUREPHH-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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Related Compounds

ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate
CID 22586151
ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927335
ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate
CID 46292533
ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate
CID 20927359
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate
CID 20941103
ethyl 1,2,5-trimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-3-carboxylate
CID 20927282
ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate
CID 2742836
ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586129
ethyl 1,2,5-trimethyl-4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]pyrrole-3-carboxylate
CID 20938550
ethyl 1,2,5-trimethyl-4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-3-carboxylate
CID 46365429

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate (CID 20927351) is ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate?
The InChIKey is IIMSFLSNUREPHH-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)21-15-8-6-14(7-9-15)16-10-11-20-27-16/h6-11,21H,5H2,1-4H3.
What are the key properties of ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-[[4-(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-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate is sourced from PubChem (CID 20927351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).