ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C17H24N2O5S — CID 20938564

IUPACethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCCCc2ccco2)c(C)n(C)c1C
InChIInChI=1S/C17H24N2O5S/c1-5-23-17(20)15-12(2)19(4)13(3)16(15)25(21,22)18-10-6-8-14-9-7-11-24-14/h7,9,11,18H,5-6,8,10H2,1-4H3
InChIKeyNSJWOOFTJQRHDJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.32
Rot. Bonds8

About ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 20938564) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID20938564
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Nameethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCCCc2ccco2)c(C)n(C)c1C
InChIInChI=1S/C17H24N2O5S/c1-5-23-17(20)15-12(2)19(4)13(3)16(15)25(21,22)18-10-6-8-14-9-7-11-24-14/h7,9,11,18H,5-6,8,10H2,1-4H3
InChIKeyNSJWOOFTJQRHDJ-UHFFFAOYSA-N
XLogP2.32
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 20938564) is ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCCCc2ccco2)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is NSJWOOFTJQRHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-5-23-17(20)15-12(2)19(4)13(3)16(15)25(21,22)18-10-6-8-14-9-7-11-24-14/h7,9,11,18H,5-6,8,10H2,1-4H3.
What are the key properties of ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20938564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).