N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide

C19H20N4O6S — CID 43977695

IUPACN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1
InChIInChI=1S/C19H20N4O6S/c1-23(2)30(25,26)14-8-5-12(6-9-14)18-21-22-19(29-18)20-17(24)15-11-13(27-3)7-10-16(15)28-4/h5-11H,1-4H3,(H,20,22,24)
InChIKeyDBONYWRPTXVZCW-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.26
Rot. Bonds7

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

N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide (PubChem CID 43977695) has the molecular formula C19H20N4O6S and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
PubChem CID43977695
Molecular FormulaC19H20N4O6S
Molecular Weight432.46 g/mol
Exact Mass432.11
IUPAC NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1
InChIInChI=1S/C19H20N4O6S/c1-23(2)30(25,26)14-8-5-12(6-9-14)18-21-22-19(29-18)20-17(24)15-11-13(27-3)7-10-16(15)28-4/h5-11H,1-4H3,(H,20,22,24)
InChIKeyDBONYWRPTXVZCW-UHFFFAOYSA-N
XLogP2.26
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 43977601
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 43977611
2,5-dimethoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16848805
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 45283573
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848807
2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977508
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 43977589
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43973071
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43977536
4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4138922

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide (CID 43977695) is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1.
What is the InChIKey of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
The InChIKey is DBONYWRPTXVZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6S/c1-23(2)30(25,26)14-8-5-12(6-9-14)18-21-22-19(29-18)20-17(24)15-11-13(27-3)7-10-16(15)28-4/h5-11H,1-4H3,(H,20,22,24).
What are the key properties of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide has a molecular weight of 432.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 43977695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).