N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide

C18H23ClN4O4S — CID 53277926

IUPACN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)CC1
InChIInChI=1S/C18H23ClN4O4S/c1-3-28(25,26)23-10-8-13(9-11-23)18(24)22(2)12-16-20-17(21-27-16)14-6-4-5-7-15(14)19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyBRZSFDPIUUMUMY-UHFFFAOYSA-N
MW426.93 g/mol
LogP2.41
Rot. Bonds6

About N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 53277926) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID53277926
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)CC1
InChIInChI=1S/C18H23ClN4O4S/c1-3-28(25,26)23-10-8-13(9-11-23)18(24)22(2)12-16-20-17(21-27-16)14-6-4-5-7-15(14)19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyBRZSFDPIUUMUMY-UHFFFAOYSA-N
XLogP2.41
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 50945068
N-methyl-1-methylsulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50945556
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 100657973
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 132658204
N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50946857
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 100647219
1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 53278504
1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 131933729
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 132674600
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 100657768

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide (CID 53277926) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)CC1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is BRZSFDPIUUMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4S/c1-3-28(25,26)23-10-8-13(9-11-23)18(24)22(2)12-16-20-17(21-27-16)14-6-4-5-7-15(14)19/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 426.93 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53277926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).