methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C17H23N3O6S — CID 20938600

IUPACmethyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N(CCN2CCOCC2)Cc2ccco2)c[nH]1
InChIInChI=1S/C17H23N3O6S/c1-24-17(21)16-11-15(12-18-16)27(22,23)20(13-14-3-2-8-26-14)5-4-19-6-9-25-10-7-19/h2-3,8,11-12,18H,4-7,9-10,13H2,1H3
InChIKeyUHNLGSIGNOOLMC-UHFFFAOYSA-N
MW397.45 g/mol
LogP0.92
Rot. Bonds8

About methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20938600) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20938600
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Namemethyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N(CCN2CCOCC2)Cc2ccco2)c[nH]1
InChIInChI=1S/C17H23N3O6S/c1-24-17(21)16-11-15(12-18-16)27(22,23)20(13-14-3-2-8-26-14)5-4-19-6-9-25-10-7-19/h2-3,8,11-12,18H,4-7,9-10,13H2,1H3
InChIKeyUHNLGSIGNOOLMC-UHFFFAOYSA-N
XLogP0.92
TPSA105.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 20938600) is methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N(CCN2CCOCC2)Cc2ccco2)c[nH]1.
What is the InChIKey of methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is UHNLGSIGNOOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-24-17(21)16-11-15(12-18-16)27(22,23)20(13-14-3-2-8-26-14)5-4-19-6-9-25-10-7-19/h2-3,8,11-12,18H,4-7,9-10,13H2,1H3.
What are the key properties of methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 397.45 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[furan-2-ylmethyl(2-morpholin-4-ylethyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20938600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).