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

C12H20N2O5S — CID 120715852

IUPACmethyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
SMILESCCCNCCNS(=O)(=O)c1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C12H20N2O5S/c1-4-5-13-6-7-14-20(16,17)11-8-10(9(2)19-11)12(15)18-3/h8,13-14H,4-7H2,1-3H3
InChIKeyRUHJRDFORICNCE-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.65
Rot. Bonds8

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

methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate (PubChem CID 120715852) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
PubChem CID120715852
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Namemethyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
SMILESCCCNCCNS(=O)(=O)c1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C12H20N2O5S/c1-4-5-13-6-7-14-20(16,17)11-8-10(9(2)19-11)12(15)18-3/h8,13-14H,4-7H2,1-3H3
InChIKeyRUHJRDFORICNCE-UHFFFAOYSA-N
XLogP0.65
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
CID 120715512
methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate
CID 146090438
methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate
CID 119994394
methyl 5-ethyl-4-[2-(propylamino)ethylsulfamoyl]furan-2-carboxylate
CID 120715901
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716202
(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
CID 167848056
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716201
methyl 4-fluoro-2-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120715927
methyl 3-methyl-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716326
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119976049
3-methoxy-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]propanoic acid
CID 126803471

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate (CID 120715852) is methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate is CCCNCCNS(=O)(=O)c1cc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate?
The InChIKey is RUHJRDFORICNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-4-5-13-6-7-14-20(16,17)11-8-10(9(2)19-11)12(15)18-3/h8,13-14H,4-7H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate?
methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 120715852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).