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

C16H22N4O4S — CID 110368295

IUPAC3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nnc(C(C)C)o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H22N4O4S/c1-10(2)16-19-18-14(24-16)9-17-15(21)12-7-6-11(3)13(8-12)25(22,23)20(4)5/h6-8,10H,9H2,1-5H3,(H,17,21)
InChIKeyFGUWNLXXESVUKF-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.68
Rot. Bonds6

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

3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 110368295) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID110368295
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nnc(C(C)C)o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H22N4O4S/c1-10(2)16-19-18-14(24-16)9-17-15(21)12-7-6-11(3)13(8-12)25(22,23)20(4)5/h6-8,10H,9H2,1-5H3,(H,17,21)
InChIKeyFGUWNLXXESVUKF-UHFFFAOYSA-N
XLogP1.68
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110368440
3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 110660579
3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368262
3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368276
2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368258
3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 110642402
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 110295892
3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368347
3-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 110295898

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 110368295) is 3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2nnc(C(C)C)o2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is FGUWNLXXESVUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-10(2)16-19-18-14(24-16)9-17-15(21)12-7-6-11(3)13(8-12)25(22,23)20(4)5/h6-8,10H,9H2,1-5H3,(H,17,21).
What are the key properties of 3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110368295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).