N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C25H31N5O4S — CID 43929207

IUPACN-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1
InChIInChI=1S/C25H31N5O4S/c1-3-30(4-2)35(32,33)22-14-12-21(13-15-22)26-25(31)20-11-8-16-29(17-20)18-23-27-24(28-34-23)19-9-6-5-7-10-19/h5-7,9-10,12-15,20H,3-4,8,11,16-18H2,1-2H3,(H,26,31)
InChIKeyOGTOTIDXYKSPAR-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.62
Rot. Bonds9

About N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43929207) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID43929207
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1
InChIInChI=1S/C25H31N5O4S/c1-3-30(4-2)35(32,33)22-14-12-21(13-15-22)26-25(31)20-11-8-16-29(17-20)18-23-27-24(28-34-23)19-9-6-5-7-10-19/h5-7,9-10,12-15,20H,3-4,8,11,16-18H2,1-2H3,(H,26,31)
InChIKeyOGTOTIDXYKSPAR-UHFFFAOYSA-N
XLogP3.62
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43929124
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 43933224
butyl 4-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43929232
N-(4-acetamidophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930027
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43931975
N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929122
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43933246
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933308
N-(4-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929907
N-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930801
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931279

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43929207) is N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OGTOTIDXYKSPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-3-30(4-2)35(32,33)22-14-12-21(13-15-22)26-25(31)20-11-8-16-29(17-20)18-23-27-24(28-34-23)19-9-6-5-7-10-19/h5-7,9-10,12-15,20H,3-4,8,11,16-18H2,1-2H3,(H,26,31).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).