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

C16H16N4O4S2 — CID 86264858

IUPAC4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C16H16N4O4S2/c1-10-17-15(24-19-10)13-8-9-25-16(13)18-14(21)11-4-6-12(7-5-11)26(22,23)20(2)3/h4-9H,1-3H3,(H,18,21)
InChIKeyQVQPYKPQZBFPBO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.61
Rot. Bonds5

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

4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide (PubChem CID 86264858) has the molecular formula C16H16N4O4S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
PubChem CID86264858
Molecular FormulaC16H16N4O4S2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC Name4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C16H16N4O4S2/c1-10-17-15(24-19-10)13-8-9-25-16(13)18-14(21)11-4-6-12(7-5-11)26(22,23)20(2)3/h4-9H,1-3H3,(H,18,21)
InChIKeyQVQPYKPQZBFPBO-UHFFFAOYSA-N
XLogP2.61
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide (CID 86264858) is 4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide is Cc1noc(-c2ccsc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The InChIKey is QVQPYKPQZBFPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S2/c1-10-17-15(24-19-10)13-8-9-25-16(13)18-14(21)11-4-6-12(7-5-11)26(22,23)20(2)3/h4-9H,1-3H3,(H,18,21).
What are the key properties of 4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 86264858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).