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

C18H18N2O5S2 — CID 50835221

IUPACethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3cc(CC)no3)cs2)cc1
InChIInChI=1S/C18H18N2O5S2/c1-3-14-10-16(25-19-14)13-9-17(26-11-13)27(22,23)20-15-7-5-12(6-8-15)18(21)24-4-2/h5-11,20H,3-4H2,1-2H3
InChIKeyBGVGBSOQQBICOO-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.94
Rot. Bonds7

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

ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate (PubChem CID 50835221) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
PubChem CID50835221
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC Nameethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3cc(CC)no3)cs2)cc1
InChIInChI=1S/C18H18N2O5S2/c1-3-14-10-16(25-19-14)13-9-17(26-11-13)27(22,23)20-15-7-5-12(6-8-15)18(21)24-4-2/h5-11,20H,3-4H2,1-2H3
InChIKeyBGVGBSOQQBICOO-UHFFFAOYSA-N
XLogP3.94
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878494
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
CID 16553849
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 16879520
ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate
CID 46292533
N-(3-ethylphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380254
ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate
CID 50788763
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 50835152
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate (CID 50835221) is ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3cc(CC)no3)cs2)cc1.
What is the InChIKey of ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
The InChIKey is BGVGBSOQQBICOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c1-3-14-10-16(25-19-14)13-9-17(26-11-13)27(22,23)20-15-7-5-12(6-8-15)18(21)24-4-2/h5-11,20H,3-4H2,1-2H3.
What are the key properties of ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate has a molecular weight of 406.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate is sourced from PubChem (CID 50835221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).