N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide

C24H26N6O4S — CID 46365853

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NCCc4nc5ccccc5[nH]4)CC3)c2)no1
InChIInChI=1S/C24H26N6O4S/c1-16-26-23(29-34-16)18-5-4-6-19(15-18)35(32,33)30-13-10-17(11-14-30)24(31)25-12-9-22-27-20-7-2-3-8-21(20)28-22/h2-8,15,17H,9-14H2,1H3,(H,25,31)(H,27,28)
InChIKeyPONIYNDRJWKANO-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.68
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 46365853) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID46365853
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NCCc4nc5ccccc5[nH]4)CC3)c2)no1
InChIInChI=1S/C24H26N6O4S/c1-16-26-23(29-34-16)18-5-4-6-19(15-18)35(32,33)30-13-10-17(11-14-30)24(31)25-12-9-22-27-20-7-2-3-8-21(20)28-22/h2-8,15,17H,9-14H2,1H3,(H,25,31)(H,27,28)
InChIKeyPONIYNDRJWKANO-UHFFFAOYSA-N
XLogP2.68
TPSA134.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 46365849
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46365813
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7546016
1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92893434
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2333186
(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 92714924
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 30251226
N-[(2-chlorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042928
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 21008889
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 30209147

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide (CID 46365853) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide is Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NCCc4nc5ccccc5[nH]4)CC3)c2)no1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is PONIYNDRJWKANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-16-26-23(29-34-16)18-5-4-6-19(15-18)35(32,33)30-13-10-17(11-14-30)24(31)25-12-9-22-27-20-7-2-3-8-21(20)28-22/h2-8,15,17H,9-14H2,1H3,(H,25,31)(H,27,28).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46365853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).