4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C15H14N4O4S2 — CID 2051050

IUPAC4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C15H14N4O4S2/c1-19(2)25(21,22)11-7-5-10(6-8-11)13(20)16-15-18-17-14(23-15)12-4-3-9-24-12/h3-9H,1-2H3,(H,16,18,20)
InChIKeyNBCUTWCWASOPET-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.30
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2051050) has the molecular formula C15H14N4O4S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2051050
Molecular FormulaC15H14N4O4S2
Molecular Weight378.44 g/mol
Exact Mass378.05
IUPAC Name4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C15H14N4O4S2/c1-19(2)25(21,22)11-7-5-10(6-8-11)13(20)16-15-18-17-14(23-15)12-4-3-9-24-12/h3-9H,1-2H3,(H,16,18,20)
InChIKeyNBCUTWCWASOPET-UHFFFAOYSA-N
XLogP2.30
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 2051050) is 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is NBCUTWCWASOPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S2/c1-19(2)25(21,22)11-7-5-10(6-8-11)13(20)16-15-18-17-14(23-15)12-4-3-9-24-12/h3-9H,1-2H3,(H,16,18,20).
What are the key properties of 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 378.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2051050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).