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

C15H20N2O5S — CID 20923417

IUPACethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C15H20N2O5S/c1-5-21-15(18)13-10(2)16-11(3)14(13)23(19,20)17(4)9-12-7-6-8-22-12/h6-8,16H,5,9H2,1-4H3
InChIKeyLDZWDRRONMFIMU-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.22
Rot. Bonds6

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

ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 20923417) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID20923417
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Nameethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C15H20N2O5S/c1-5-21-15(18)13-10(2)16-11(3)14(13)23(19,20)17(4)9-12-7-6-8-22-12/h6-8,16H,5,9H2,1-4H3
InChIKeyLDZWDRRONMFIMU-UHFFFAOYSA-N
XLogP2.22
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (CID 20923417) is ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is LDZWDRRONMFIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-5-21-15(18)13-10(2)16-11(3)14(13)23(19,20)17(4)9-12-7-6-8-22-12/h6-8,16H,5,9H2,1-4H3.
What are the key properties of ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 340.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20923417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).