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

C18H18N4O5S — CID 2158911

IUPAC4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C18H18N4O5S/c1-22(2)28(24,25)13-10-8-12(9-11-13)16(23)19-18-21-20-17(27-18)14-6-4-5-7-15(14)26-3/h4-11H,1-3H3,(H,19,21,23)
InChIKeyZAPZVLIJPBBDTM-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.25
Rot. Bonds6

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

4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2158911) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2158911
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Name4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C18H18N4O5S/c1-22(2)28(24,25)13-10-8-12(9-11-13)16(23)19-18-21-20-17(27-18)14-6-4-5-7-15(14)26-3/h4-11H,1-3H3,(H,19,21,23)
InChIKeyZAPZVLIJPBBDTM-UHFFFAOYSA-N
XLogP2.25
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 2158917
N-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158919
4-[ethyl-(phenylmethyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158923
4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158928
N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158935
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158939
4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158957
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 2158975
4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2159040
4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3239504
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 5004011
2-fluoro-N-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 5221215

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2158911) is 4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZAPZVLIJPBBDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-22(2)28(24,25)13-10-8-12(9-11-13)16(23)19-18-21-20-17(27-18)14-6-4-5-7-15(14)26-3/h4-11H,1-3H3,(H,19,21,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 402.43 g/mol, XLogP of 2.25, 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-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2158911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).