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

C17H16N2O5S2 — CID 20936192

IUPACethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1
InChIInChI=1S/C17H16N2O5S2/c1-3-23-17(20)12-5-4-6-13(10-12)19-26(21,22)16-8-7-15(25-16)14-9-11(2)18-24-14/h4-10,19H,3H2,1-2H3
InChIKeyWYRBZXXQWQBXQZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.69
Rot. Bonds6

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

ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate (PubChem CID 20936192) has the molecular formula C17H16N2O5S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
PubChem CID20936192
Molecular FormulaC17H16N2O5S2
Molecular Weight392.46 g/mol
Exact Mass392.05
IUPAC Nameethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1
InChIInChI=1S/C17H16N2O5S2/c1-3-23-17(20)12-5-4-6-13(10-12)19-26(21,22)16-8-7-15(25-16)14-9-11(2)18-24-14/h4-10,19H,3H2,1-2H3
InChIKeyWYRBZXXQWQBXQZ-UHFFFAOYSA-N
XLogP3.69
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950037
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341364
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
CID 8823790
N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936379
ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 92708484
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylthiophene-2-sulfonamide
CID 20936287
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
The IUPAC name of ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate (CID 20936192) is ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate is CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1.
What is the InChIKey of ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
The InChIKey is WYRBZXXQWQBXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S2/c1-3-23-17(20)12-5-4-6-13(10-12)19-26(21,22)16-8-7-15(25-16)14-9-11(2)18-24-14/h4-10,19H,3H2,1-2H3.
What are the key properties of ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate has a molecular weight of 392.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate is sourced from PubChem (CID 20936192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).