N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

C18H16F2N4O4S — CID 53011963

IUPACN-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCc3cc(F)cc(F)c3)o2)cc1
InChIInChI=1S/C18H16F2N4O4S/c1-24(2)29(26,27)15-5-3-12(4-6-15)17-22-23-18(28-17)16(25)21-10-11-7-13(19)9-14(20)8-11/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyZHXQPHDQNMPOHA-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.20
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53011963) has the molecular formula C18H16F2N4O4S and a molecular weight of 422.41 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID53011963
Molecular FormulaC18H16F2N4O4S
Molecular Weight422.41 g/mol
Exact Mass422.09
IUPAC NameN-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCc3cc(F)cc(F)c3)o2)cc1
InChIInChI=1S/C18H16F2N4O4S/c1-24(2)29(26,27)15-5-3-12(4-6-15)17-22-23-18(28-17)16(25)21-10-11-7-13(19)9-14(20)8-11/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyZHXQPHDQNMPOHA-UHFFFAOYSA-N
XLogP2.20
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53131909
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392627
N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53011956
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 43977636
5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
CID 53131924
5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide
CID 95092482
N-[[4-(dimethylamino)phenyl]methyl]-5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837254
5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide
CID 95092491
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-[(4-methylphenyl)methyl]-5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837208
5-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391547
N-[(3-methoxyphenyl)methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837187

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 53011963) is N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide is CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCc3cc(F)cc(F)c3)o2)cc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZHXQPHDQNMPOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O4S/c1-24(2)29(26,27)15-5-3-12(4-6-15)17-22-23-18(28-17)16(25)21-10-11-7-13(19)9-14(20)8-11/h3-9H,10H2,1-2H3,(H,21,25).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53011963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).