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

C15H20N2O5S — CID 20938596

IUPACmethyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCCCN(Cc1ccco1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C15H20N2O5S/c1-3-4-7-17(11-12-6-5-8-22-12)23(19,20)13-9-14(16-10-13)15(18)21-2/h5-6,8-10,16H,3-4,7,11H2,1-2H3
InChIKeyDJMXQVYUIXGDFV-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.39
Rot. Bonds8

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

methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20938596) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20938596
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Namemethyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCCCN(Cc1ccco1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C15H20N2O5S/c1-3-4-7-17(11-12-6-5-8-22-12)23(19,20)13-9-14(16-10-13)15(18)21-2/h5-6,8-10,16H,3-4,7,11H2,1-2H3
InChIKeyDJMXQVYUIXGDFV-UHFFFAOYSA-N
XLogP2.39
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 20938596) is methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate is CCCCN(Cc1ccco1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1.
What is the InChIKey of methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is DJMXQVYUIXGDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-3-4-7-17(11-12-6-5-8-22-12)23(19,20)13-9-14(16-10-13)15(18)21-2/h5-6,8-10,16H,3-4,7,11H2,1-2H3.
What are the key properties of methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 340.40 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[butyl(furan-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20938596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).