ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate

C15H20N2O4S2 — CID 20923421

IUPACethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C15H20N2O4S2/c1-4-21-15(18)13-10(2)17-11(3)14(13)23(19,20)16-8-7-12-6-5-9-22-12/h5-6,9,16-17H,4,7-8H2,1-3H3
InChIKeyGXXXKLBRFMSDJA-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.39
Rot. Bonds7

About ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate

ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate (PubChem CID 20923421) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate
PubChem CID20923421
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Nameethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C15H20N2O4S2/c1-4-21-15(18)13-10(2)17-11(3)14(13)23(19,20)16-8-7-12-6-5-9-22-12/h5-6,9,16-17H,4,7-8H2,1-3H3
InChIKeyGXXXKLBRFMSDJA-UHFFFAOYSA-N
XLogP2.39
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,5-dimethyl-4-{[2-(3-methylthiophen-2-yl)ethyl]sulfamoyl}-1H-pyrrole-3-carboxylate
CID 20923423
Ethyl 2,5-dimethyl-4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-3-carboxylate
CID 20938501
Ethyl 1,2,5-trimethyl-4-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methylsulfamoyl]pyrrole-3-carboxylate
CID 20938562
Ethyl 2,5-dimethyl-4-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfamoyl]-1H-pyrrole-3-carboxylate
CID 16025601
Ethyl 1,2,5-trimethyl-4-{[(thiophen-2-YL)methyl]sulfamoyl}-1H-pyrrole-3-carboxylate
CID 20927324
Methyl 4-{[2-(3-methylthiophen-2-YL)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552126
Ethyl 1,2,5-trimethyl-4-{[2-(thiophen-2-YL)ethyl]sulfamoyl}-1H-pyrrole-3-carboxylate
CID 20927359
Ethyl 2,5-dimethyl-4-{[(2-methylphenyl)methyl]sulfamoyl}-1H-pyrrole-3-carboxylate
CID 20938488
ethyl 2,5-dimethyl-4-(3-phenylpyrrolidin-1-yl)sulfonyl-1H-pyrrole-3-carboxylate
CID 20938485
methyl 4-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 5716050
Ethyl 4-[(butan-2-YL)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923295
Ethyl 2,5-dimethyl-4-[(2-phenylethyl)sulfamoyl]-1H-pyrrole-3-carboxylate
CID 20923350

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate (CID 20923421) is ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCc1cccs1.
What is the InChIKey of ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate?
The InChIKey is GXXXKLBRFMSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-4-21-15(18)13-10(2)17-11(3)14(13)23(19,20)16-8-7-12-6-5-9-22-12/h5-6,9,16-17H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate?
ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-4-(2-thiophen-2-ylethylsulfamoyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20923421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).