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

C18H18N4O5S — CID 1435006

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)noc2=O)cc1
InChIInChI=1S/C18H18N4O5S/c1-21(2)28(25,26)15-10-8-14(9-11-15)19-16(23)12-22-17(20-27-18(22)24)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,23)
InChIKeyPZOCVTBKFHCZKH-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.39
Rot. Bonds6

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

N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 1435006) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID1435006
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)noc2=O)cc1
InChIInChI=1S/C18H18N4O5S/c1-21(2)28(25,26)15-10-8-14(9-11-15)19-16(23)12-22-17(20-27-18(22)24)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,23)
InChIKeyPZOCVTBKFHCZKH-UHFFFAOYSA-N
XLogP1.39
TPSA114.51 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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (CID 1435006) is N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)noc2=O)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is PZOCVTBKFHCZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-21(2)28(25,26)15-10-8-14(9-11-15)19-16(23)12-22-17(20-27-18(22)24)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,23).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 402.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 1435006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).