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

C13H16N4O4S2 — CID 2051259

IUPAC4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C13H16N4O4S2/c1-17(2)23(19,20)10-6-4-9(5-7-10)12(18)14-13-16-15-11(21-13)8-22-3/h4-7H,8H2,1-3H3,(H,14,16,18)
InChIKeyMFIQMXOEHJHJQJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.44
Rot. Bonds6

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

4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2051259) has the molecular formula C13H16N4O4S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2051259
Molecular FormulaC13H16N4O4S2
Molecular Weight356.43 g/mol
Exact Mass356.06
IUPAC Name4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C13H16N4O4S2/c1-17(2)23(19,20)10-6-4-9(5-7-10)12(18)14-13-16-15-11(21-13)8-22-3/h4-7H,8H2,1-3H3,(H,14,16,18)
InChIKeyMFIQMXOEHJHJQJ-UHFFFAOYSA-N
XLogP1.44
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[ethyl(phenyl)sulfamoyl]-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155656
N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 2051233
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155651
4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155646
4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083850
4-(dimethylsulfamoyl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861297
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43952033
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 43977589
4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974066
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2051259) is 4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is MFIQMXOEHJHJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S2/c1-17(2)23(19,20)10-6-4-9(5-7-10)12(18)14-13-16-15-11(21-13)8-22-3/h4-7H,8H2,1-3H3,(H,14,16,18).
What are the key properties of 4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2051259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).