ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate

C15H20N2O5S — CID 20927272

IUPACethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2ccco2)c(C)n(C)c1C
InChIInChI=1S/C15H20N2O5S/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
InChIKeyDQVOZUWQZGACDV-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.89
Rot. Bonds6

About ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 20927272) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID20927272
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Nameethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2ccco2)c(C)n(C)c1C
InChIInChI=1S/C15H20N2O5S/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
InChIKeyDQVOZUWQZGACDV-UHFFFAOYSA-N
XLogP1.89
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-{[(2-furylmethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810312
Ethyl 1,2,5-trimethyl-4-{[(5-methylfuran-2-YL)methyl]sulfamoyl}-1H-pyrrole-3-carboxylate
CID 20927333
ethyl 4-{[(2-furylmethyl)(methyl)amino]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 20927355
ethyl 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938486
ethyl 4-({[3-(2-furyl)propyl]amino}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938522
ethyl 4-({[3-(2-furyl)propyl]amino}sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 20938564
Ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 20969589
Ethyl 4-{[(4-methoxyphenyl)methyl]sulfamoyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 20927276
ethyl 4-{[4-(2-furoyl)piperazin-1-yl]sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938480
dimethyl 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
CID 758247
N-[(furan-2-yl)methyl]-N-[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]-2-phenylethene-1-sulfonamide
CID 2565646
ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923417

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate (CID 20927272) is ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCc2ccco2)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is DQVOZUWQZGACDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/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 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 340.40 g/mol, XLogP of 1.89, 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)-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20927272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).