ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

C17H18N2O6S2 — CID 20950118

IUPACethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCCc3ccco3)s2)on1
InChIInChI=1S/C17H18N2O6S2/c1-2-23-17(20)13-11-14(25-19-13)15-7-8-16(26-15)27(21,22)18-9-3-5-12-6-4-10-24-12/h4,6-8,10-11,18H,2-3,5,9H2,1H3
InChIKeyARXGOCMGIYFRJK-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.08
Rot. Bonds9

About ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 20950118) has the molecular formula C17H18N2O6S2 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID20950118
Molecular FormulaC17H18N2O6S2
Molecular Weight410.47 g/mol
Exact Mass410.06
IUPAC Nameethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCCc3ccco3)s2)on1
InChIInChI=1S/C17H18N2O6S2/c1-2-23-17(20)13-11-14(25-19-13)15-7-8-16(26-15)27(21,22)18-9-3-5-12-6-4-10-24-12/h4,6-8,10-11,18H,2-3,5,9H2,1H3
InChIKeyARXGOCMGIYFRJK-UHFFFAOYSA-N
XLogP3.08
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950045
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 92708484
ethyl 5-[3-[2-(furan-2-yl)ethylsulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941119
5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
CID 20936205
N-[1-(furan-2-yl)propan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936303
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide
CID 53279766
2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 60681336
ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate
CID 22579173
methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341371
methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950124

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 20950118) is ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCCc3ccco3)s2)on1.
What is the InChIKey of ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is ARXGOCMGIYFRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S2/c1-2-23-17(20)13-11-14(25-19-13)15-7-8-16(26-15)27(21,22)18-9-3-5-12-6-4-10-24-12/h4,6-8,10-11,18H,2-3,5,9H2,1H3.
What are the key properties of ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 20950118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).