ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride

C12H21ClN2O6S — CID 120717695

IUPACethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCCNCCOC)o1.Cl
InChIInChI=1S/C12H20N2O6S.ClH/c1-3-19-12(15)10-4-5-11(20-10)21(16,17)14-7-6-13-8-9-18-2;/h4-5,13-14H,3,6-9H2,1-2H3;1H
InChIKeyDSHOJQLMNLKKRA-UHFFFAOYSA-N
MW356.83 g/mol
LogP0.39
Rot. Bonds10

About ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride

ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride (PubChem CID 120717695) has the molecular formula C12H21ClN2O6S and a molecular weight of 356.83 g/mol. Its IUPAC name is ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride
PubChem CID120717695
Molecular FormulaC12H21ClN2O6S
Molecular Weight356.83 g/mol
Exact Mass356.08
IUPAC Nameethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCCNCCOC)o1.Cl
InChIInChI=1S/C12H20N2O6S.ClH/c1-3-19-12(15)10-4-5-11(20-10)21(16,17)14-7-6-13-8-9-18-2;/h4-5,13-14H,3,6-9H2,1-2H3;1H
InChIKeyDSHOJQLMNLKKRA-UHFFFAOYSA-N
XLogP0.39
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 50.39
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

ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120664749
ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
CID 120582735
5-ethoxycarbonylfuran-2-sulfonate
CID 3837677
ethyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate
CID 120896379
3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid
CID 39733384
ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate
CID 119983242
ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate
CID 119974281
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120717545
ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate
CID 122141670
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120717421

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride (CID 120717695) is ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride is CCOC(=O)c1ccc(S(=O)(=O)NCCNCCOC)o1.Cl.
What is the InChIKey of ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride?
The InChIKey is DSHOJQLMNLKKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6S.ClH/c1-3-19-12(15)10-4-5-11(20-10)21(16,17)14-7-6-13-8-9-18-2;/h4-5,13-14H,3,6-9H2,1-2H3;1H.
What are the key properties of ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride?
ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride has a molecular weight of 356.83 g/mol, XLogP of 0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 120717695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).