4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C18H18N4O4S — CID 7553131

IUPAC4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1
InChIInChI=1S/C18H18N4O4S/c1-22(2)13-10-8-12(9-11-13)16(23)19-18-21-20-17(26-18)14-6-4-5-7-15(14)27(3,24)25/h4-11H,1-3H3,(H,19,21,23)
InChIKeyFBZNJUZAASAEJH-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.46
Rot. Bonds5

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

4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7553131) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7553131
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1
InChIInChI=1S/C18H18N4O4S/c1-22(2)13-10-8-12(9-11-13)16(23)19-18-21-20-17(26-18)14-6-4-5-7-15(14)27(3,24)25/h4-11H,1-3H3,(H,19,21,23)
InChIKeyFBZNJUZAASAEJH-UHFFFAOYSA-N
XLogP2.46
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578193
3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578150
2-methyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578185
2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
CID 43978186
2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576963
3-butoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578184
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977195
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 43976473
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 3251865
4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576949
methyl 4-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 7577907
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16821748

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7553131) is 4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CN(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is FBZNJUZAASAEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-22(2)13-10-8-12(9-11-13)16(23)19-18-21-20-17(26-18)14-6-4-5-7-15(14)27(3,24)25/h4-11H,1-3H3,(H,19,21,23).
What are the key properties of 4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 386.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7553131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).