ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate

C16H22N2O5S — CID 20927333

IUPACethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2ccc(C)o2)c(C)n(C)c1C
InChIInChI=1S/C16H22N2O5S/c1-6-22-16(19)14-11(3)18(5)12(4)15(14)24(20,21)17-9-13-8-7-10(2)23-13/h7-8,17H,6,9H2,1-5H3
InChIKeyXXDGJFBDGXSBEE-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.20
Rot. Bonds6

About ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate

ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate (PubChem CID 20927333) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate
PubChem CID20927333
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Nameethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2ccc(C)o2)c(C)n(C)c1C
InChIInChI=1S/C16H22N2O5S/c1-6-22-16(19)14-11(3)18(5)12(4)15(14)24(20,21)17-9-13-8-7-10(2)23-13/h7-8,17H,6,9H2,1-5H3
InChIKeyXXDGJFBDGXSBEE-UHFFFAOYSA-N
XLogP2.20
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate (CID 20927333) is ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCc2ccc(C)o2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate?
The InChIKey is XXDGJFBDGXSBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-6-22-16(19)14-11(3)18(5)12(4)15(14)24(20,21)17-9-13-8-7-10(2)23-13/h7-8,17H,6,9H2,1-5H3.
What are the key properties of ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]pyrrole-3-carboxylate is sourced from PubChem (CID 20927333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).