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

C15H20N2O4S2 — CID 20927324

IUPACethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2cccs2)c(C)n(C)c1C
InChIInChI=1S/C15H20N2O4S2/c1-5-21-15(18)13-10(2)17(4)11(3)14(13)23(19,20)16-9-12-7-6-8-22-12/h6-8,16H,5,9H2,1-4H3
InChIKeyWWRATGVCBMXFCH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.36
Rot. Bonds6

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

ethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate (PubChem CID 20927324) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate
PubChem CID20927324
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Nameethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2cccs2)c(C)n(C)c1C
InChIInChI=1S/C15H20N2O4S2/c1-5-21-15(18)13-10(2)17(4)11(3)14(13)23(19,20)16-9-12-7-6-8-22-12/h6-8,16H,5,9H2,1-4H3
InChIKeyWWRATGVCBMXFCH-UHFFFAOYSA-N
XLogP2.36
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.36
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-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate (CID 20927324) is ethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCc2cccs2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate?
The InChIKey is WWRATGVCBMXFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-5-21-15(18)13-10(2)17(4)11(3)14(13)23(19,20)16-9-12-7-6-8-22-12/h6-8,16H,5,9H2,1-4H3.
What are the key properties of ethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 2.36, 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-(thiophen-2-ylmethylsulfamoyl)pyrrole-3-carboxylate is sourced from PubChem (CID 20927324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).