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

C18H18N4O4S — CID 16854704

IUPAC4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1
InChIInChI=1S/C18H18N4O4S/c1-12-5-4-6-14(11-12)17-20-21-18(26-17)19-16(23)13-7-9-15(10-8-13)27(24,25)22(2)3/h4-11H,1-3H3,(H,19,21,23)
InChIKeyLPHRFRHBQJAEKW-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.55
Rot. Bonds5

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

4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16854704) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16854704
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1
InChIInChI=1S/C18H18N4O4S/c1-12-5-4-6-14(11-12)17-20-21-18(26-17)19-16(23)13-7-9-15(10-8-13)27(24,25)22(2)3/h4-11H,1-3H3,(H,19,21,23)
InChIKeyLPHRFRHBQJAEKW-UHFFFAOYSA-N
XLogP2.55
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43976196
4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083850
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16854742
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 43977589
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976701
4-(dimethylsulfamoyl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861297
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16854423
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43952033
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16854704) is 4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is LPHRFRHBQJAEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-12-5-4-6-14(11-12)17-20-21-18(26-17)19-16(23)13-7-9-15(10-8-13)27(24,25)22(2)3/h4-11H,1-3H3,(H,19,21,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 386.43 g/mol, XLogP of 2.55, 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-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16854704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).