methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate

C19H27N3O5S — CID 20938646

IUPACmethyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C2CCCC2)cn1C
InChIInChI=1S/C19H27N3O5S/c1-21-14-17(12-18(21)19(23)26-2)28(24,25)20-9-10-22(15-6-3-4-7-15)13-16-8-5-11-27-16/h5,8,11-12,14-15,20H,3-4,6-7,9-10,13H2,1-2H3
InChIKeyUXDJCFIEMLQJID-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.13
Rot. Bonds9

About methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 20938646) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID20938646
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Namemethyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C2CCCC2)cn1C
InChIInChI=1S/C19H27N3O5S/c1-21-14-17(12-18(21)19(23)26-2)28(24,25)20-9-10-22(15-6-3-4-7-15)13-16-8-5-11-27-16/h5,8,11-12,14-15,20H,3-4,6-7,9-10,13H2,1-2H3
InChIKeyUXDJCFIEMLQJID-UHFFFAOYSA-N
XLogP2.13
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 20938646) is methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C2CCCC2)cn1C.
What is the InChIKey of methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is UXDJCFIEMLQJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-21-14-17(12-18(21)19(23)26-2)28(24,25)20-9-10-22(15-6-3-4-7-15)13-16-8-5-11-27-16/h5,8,11-12,14-15,20H,3-4,6-7,9-10,13H2,1-2H3.
What are the key properties of methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 409.51 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 20938646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).