ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate

C18H24N2O4S — CID 20927304

IUPACethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCCc2ccccc2)c(C)n(C)c1C
InChIInChI=1S/C18H24N2O4S/c1-5-24-18(21)16-13(2)20(4)14(3)17(16)25(22,23)19-12-11-15-9-7-6-8-10-15/h6-10,19H,5,11-12H2,1-4H3
InChIKeyDAHRBWCPJBIMLU-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.34
Rot. Bonds7

About ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate

ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate (PubChem CID 20927304) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate
PubChem CID20927304
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Nameethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCCc2ccccc2)c(C)n(C)c1C
InChIInChI=1S/C18H24N2O4S/c1-5-24-18(21)16-13(2)20(4)14(3)17(16)25(22,23)19-12-11-15-9-7-6-8-10-15/h6-10,19H,5,11-12H2,1-4H3
InChIKeyDAHRBWCPJBIMLU-UHFFFAOYSA-N
XLogP2.34
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate (CID 20927304) is ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCCc2ccccc2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate?
The InChIKey is DAHRBWCPJBIMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-5-24-18(21)16-13(2)20(4)14(3)17(16)25(22,23)19-12-11-15-9-7-6-8-10-15/h6-10,19H,5,11-12H2,1-4H3.
What are the key properties of ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate has a molecular weight of 364.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethyl-4-(2-phenylethylsulfamoyl)pyrrole-3-carboxylate is sourced from PubChem (CID 20927304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).