ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C16H22N2O5S — CID 20927355

IUPACethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)N(C)Cc2ccco2)c(C)n(C)c1C
InChIInChI=1S/C16H22N2O5S/c1-6-22-16(19)14-11(2)18(5)12(3)15(14)24(20,21)17(4)10-13-8-7-9-23-13/h7-9H,6,10H2,1-5H3
InChIKeyIQHJNPLGEANKBR-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.23
Rot. Bonds6

About ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 20927355) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID20927355
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Nameethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)N(C)Cc2ccco2)c(C)n(C)c1C
InChIInChI=1S/C16H22N2O5S/c1-6-22-16(19)14-11(2)18(5)12(3)15(14)24(20,21)17(4)10-13-8-7-9-23-13/h7-9H,6,10H2,1-5H3
InChIKeyIQHJNPLGEANKBR-UHFFFAOYSA-N
XLogP2.23
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-{[(2-furylmethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810312
8-Ethoxy-2-furan-2-ylmethyl-1,3-dimethyl-2H-cyclohepta[c]pyrrol-4-one
CID 672059
1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 2414080
Ethyl 1,2,5-trimethyl-4-{[(5-methylfuran-2-YL)methyl]sulfamoyl}-1H-pyrrole-3-carboxylate
CID 20927333
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
1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 4962470
Ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927272
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 20927355) is ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)N(C)Cc2ccco2)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is IQHJNPLGEANKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-6-22-16(19)14-11(2)18(5)12(3)15(14)24(20,21)17(4)10-13-8-7-9-23-13/h7-9H,6,10H2,1-5H3.
What are the key properties of ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20927355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).