(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate

C17H16N2O5S2 — CID 8749092

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C17H16N2O5S2/c1-19(2)26(21,22)14-7-5-12(6-8-14)17(20)23-11-13-10-15(24-18-13)16-4-3-9-25-16/h3-10H,11H2,1-2H3
InChIKeyMTXQWWYSEBJCTO-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.01
Rot. Bonds6

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 8749092) has the molecular formula C17H16N2O5S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate
PubChem CID8749092
Molecular FormulaC17H16N2O5S2
Molecular Weight392.46 g/mol
Exact Mass392.05
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C17H16N2O5S2/c1-19(2)26(21,22)14-7-5-12(6-8-14)17(20)23-11-13-10-15(24-18-13)16-4-3-9-25-16/h3-10H,11H2,1-2H3
InChIKeyMTXQWWYSEBJCTO-UHFFFAOYSA-N
XLogP3.01
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate (CID 8749092) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is MTXQWWYSEBJCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S2/c1-19(2)26(21,22)14-7-5-12(6-8-14)17(20)23-11-13-10-15(24-18-13)16-4-3-9-25-16/h3-10H,11H2,1-2H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 392.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 8749092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).