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

C24H28N4O2S — CID 43930614

IUPACN-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCN(Cc2nc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C24H28N4O2S/c1-3-31-21-9-5-4-8-20(21)25-24(29)19-7-6-14-28(15-19)16-22-26-23(27-30-22)18-12-10-17(2)11-13-18/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3,(H,25,29)
InChIKeyYLDQIFPXUWTOQM-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.01
Rot. Bonds7

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

N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43930614) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43930614
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCN(Cc2nc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C24H28N4O2S/c1-3-31-21-9-5-4-8-20(21)25-24(29)19-7-6-14-28(15-19)16-22-26-23(27-30-22)18-12-10-17(2)11-13-18/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3,(H,25,29)
InChIKeyYLDQIFPXUWTOQM-UHFFFAOYSA-N
XLogP5.01
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930586
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931688
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43930491
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43931962
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931271
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 43930153
N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930506
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43931829
N-(5-chloro-2-phenoxyphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930469
N-(5-chloro-2-methylphenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933294
N-[2-(4-methylphenyl)sulfanylethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929086
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43930614) is N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is CCSc1ccccc1NC(=O)C1CCCN(Cc2nc(-c3ccc(C)cc3)no2)C1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is YLDQIFPXUWTOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-3-31-21-9-5-4-8-20(21)25-24(29)19-7-6-14-28(15-19)16-22-26-23(27-30-22)18-12-10-17(2)11-13-18/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3,(H,25,29).
What are the key properties of N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43930614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).