methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate

C11H18N2O6S — CID 120717545

IUPACmethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate
SMILESCOCCNCCNS(=O)(=O)c1cc(C(=O)OC)co1
InChIInChI=1S/C11H18N2O6S/c1-17-6-5-12-3-4-13-20(15,16)10-7-9(8-19-10)11(14)18-2/h7-8,12-13H,3-6H2,1-2H3
InChIKeyVDYHKUFLAKTJIM-UHFFFAOYSA-N
MW306.34 g/mol
LogP-0.42
Rot. Bonds9

About methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate

methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate (PubChem CID 120717545) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate
PubChem CID120717545
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Namemethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate
SMILESCOCCNCCNS(=O)(=O)c1cc(C(=O)OC)co1
InChIInChI=1S/C11H18N2O6S/c1-17-6-5-12-3-4-13-20(15,16)10-7-9(8-19-10)11(14)18-2/h7-8,12-13H,3-6H2,1-2H3
InChIKeyVDYHKUFLAKTJIM-UHFFFAOYSA-N
XLogP-0.42
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride
CID 120583285
methyl 3-[2-(2-methoxyethylamino)ethylsulfamoyl]-4-methylbenzoate
CID 120717524
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
methyl 5-sulfamoylfuran-3-carboxylate
CID 122156795
ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120717695
methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate
CID 170717835
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120715852
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate (CID 120717545) is methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate is COCCNCCNS(=O)(=O)c1cc(C(=O)OC)co1.
What is the InChIKey of methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate?
The InChIKey is VDYHKUFLAKTJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6S/c1-17-6-5-12-3-4-13-20(15,16)10-7-9(8-19-10)11(14)18-2/h7-8,12-13H,3-6H2,1-2H3.
What are the key properties of methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate?
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate has a molecular weight of 306.34 g/mol, XLogP of -0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 120717545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).