ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate

C13H16N2O5S — CID 20969589

IUPACethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2ccco2)cn1C
InChIInChI=1S/C13H16N2O5S/c1-3-19-13(16)12-7-11(9-15(12)2)21(17,18)14-8-10-5-4-6-20-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyXUTSQFGEZKADDJ-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.27
Rot. Bonds6

About ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate

ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate (PubChem CID 20969589) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
PubChem CID20969589
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Nameethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2ccco2)cn1C
InChIInChI=1S/C13H16N2O5S/c1-3-19-13(16)12-7-11(9-15(12)2)21(17,18)14-8-10-5-4-6-20-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyXUTSQFGEZKADDJ-UHFFFAOYSA-N
XLogP1.27
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Acetyl-1-furfurylpyrrole
CID 20560368
methyl 5-{[(2-furylmethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810312
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
Methyl 4-{[(furan-2-YL)methyl](methyl)sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552125
Benzene-1,4-disulfonic acid 1-diethylamide 4-(furan-2-ylmethyl-pyridin-2-ylmethyl-amide)
CID 648165
1-((Furan-2-yl)methyl)-1H-pyrrole-2-carbaldehyde
CID 529880
ethyl 4-{[(2-furylmethyl)(methyl)amino]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 20927355
Methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515623
Methyl 4-{[(3-methoxyphenyl)methyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 22515690
ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515725
methyl 4-({[3-(2-furyl)propyl]amino}sulfonyl)-1H-pyrrole-2-carboxylate
CID 20938619

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate (CID 20969589) is ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NCc2ccco2)cn1C.
What is the InChIKey of ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is XUTSQFGEZKADDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-3-19-13(16)12-7-11(9-15(12)2)21(17,18)14-8-10-5-4-6-20-10/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate?
ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 312.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 20969589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).