4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C21H22N4O4S — CID 4255826

IUPAC4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1
InChIInChI=1S/C21H22N4O4S/c1-25(2)30(27,28)18-11-9-15(10-12-18)19(26)22-21-24-23-20(29-21)17-8-7-14-5-3-4-6-16(14)13-17/h7-13H,3-6H2,1-2H3,(H,22,24,26)
InChIKeyLVNQULHSRBJLQC-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.12
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4255826) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4255826
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1
InChIInChI=1S/C21H22N4O4S/c1-25(2)30(27,28)18-11-9-15(10-12-18)19(26)22-21-24-23-20(29-21)17-8-7-14-5-3-4-6-16(14)13-17/h7-13H,3-6H2,1-2H3,(H,22,24,26)
InChIKeyLVNQULHSRBJLQC-UHFFFAOYSA-N
XLogP3.12
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4255826) is 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is LVNQULHSRBJLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-25(2)30(27,28)18-11-9-15(10-12-18)19(26)22-21-24-23-20(29-21)17-8-7-14-5-3-4-6-16(14)13-17/h7-13H,3-6H2,1-2H3,(H,22,24,26).
What are the key properties of 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4255826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).