ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate

C17H16N2O6S — CID 46292533

IUPACethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)oc2C)cc1
InChIInChI=1S/C17H16N2O6S/c1-3-23-17(20)12-4-6-13(7-5-12)19-26(21,22)16-10-15(24-11(16)2)14-8-9-18-25-14/h4-10,19H,3H2,1-2H3
InChIKeyBXKUPCHGRTXOQG-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.22
Rot. Bonds6

About ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate

ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate (PubChem CID 46292533) has the molecular formula C17H16N2O6S and a molecular weight of 376.39 g/mol. Its IUPAC name is ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate
PubChem CID46292533
Molecular FormulaC17H16N2O6S
Molecular Weight376.39 g/mol
Exact Mass376.07
IUPAC Nameethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)oc2C)cc1
InChIInChI=1S/C17H16N2O6S/c1-3-23-17(20)12-4-6-13(7-5-12)19-26(21,22)16-10-15(24-11(16)2)14-8-9-18-25-14/h4-10,19H,3H2,1-2H3
InChIKeyBXKUPCHGRTXOQG-UHFFFAOYSA-N
XLogP3.22
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292481
methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate
CID 53079541
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate
CID 50788763
ethyl 4-[(2,3-diaminophenyl)sulfonylamino]benzoate
CID 90419987
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
CID 20927351
ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate
CID 2236611
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)furan-3-sulfonamide
CID 46292566
ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 50835221
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate (CID 46292533) is ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)oc2C)cc1.
What is the InChIKey of ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate?
The InChIKey is BXKUPCHGRTXOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6S/c1-3-23-17(20)12-4-6-13(7-5-12)19-26(21,22)16-10-15(24-11(16)2)14-8-9-18-25-14/h4-10,19H,3H2,1-2H3.
What are the key properties of ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate?
ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate has a molecular weight of 376.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate is sourced from PubChem (CID 46292533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).