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

C17H15BrN2O5S2 — CID 24670756

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
SMILESCc1noc(C)c1COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C17H15BrN2O5S2/c1-10-13(11(2)25-19-10)9-24-17(21)12-5-3-4-6-14(12)20-27(22,23)16-8-7-15(18)26-16/h3-8,20H,9H2,1-2H3
InChIKeyHAYOBUAGLHJZQX-UHFFFAOYSA-N
MW471.35 g/mol
LogP4.27
Rot. Bonds6

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate (PubChem CID 24670756) has the molecular formula C17H15BrN2O5S2 and a molecular weight of 471.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
PubChem CID24670756
Molecular FormulaC17H15BrN2O5S2
Molecular Weight471.35 g/mol
Exact Mass469.96
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
SMILESCc1noc(C)c1COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C17H15BrN2O5S2/c1-10-13(11(2)25-19-10)9-24-17(21)12-5-3-4-6-14(12)20-27(22,23)16-8-7-15(18)26-16/h3-8,20H,9H2,1-2H3
InChIKeyHAYOBUAGLHJZQX-UHFFFAOYSA-N
XLogP4.27
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
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(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
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(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-bromo-5-(propan-2-ylsulfamoyl)benzoate
CID 4882718
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate
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(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
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(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125497
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 25037312
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 4781705
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate (CID 24670756) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate is Cc1noc(C)c1COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?
The InChIKey is HAYOBUAGLHJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O5S2/c1-10-13(11(2)25-19-10)9-24-17(21)12-5-3-4-6-14(12)20-27(22,23)16-8-7-15(18)26-16/h3-8,20H,9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate has a molecular weight of 471.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate is sourced from PubChem (CID 24670756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).