1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide

C22H23N5O4S2 — CID 60563323

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3nc(-c4cccs4)[nH]c3c2)C1
InChIInChI=1S/C22H23N5O4S2/c1-13-20(14(2)31-26-13)33(29,30)27-9-3-5-15(12-27)22(28)23-16-7-8-17-18(11-16)25-21(24-17)19-6-4-10-32-19/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyBHLUEMNRLCXCLS-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.94
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide (PubChem CID 60563323) has the molecular formula C22H23N5O4S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
PubChem CID60563323
Molecular FormulaC22H23N5O4S2
Molecular Weight485.59 g/mol
Exact Mass485.12
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3nc(-c4cccs4)[nH]c3c2)C1
InChIInChI=1S/C22H23N5O4S2/c1-13-20(14(2)31-26-13)33(29,30)27-9-3-5-15(12-27)22(28)23-16-7-8-17-18(11-16)25-21(24-17)19-6-4-10-32-19/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyBHLUEMNRLCXCLS-UHFFFAOYSA-N
XLogP3.94
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532822
(3S)-N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 27896491
N-(3-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335753
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(3-fluorophenoxy)phenyl]piperidine-3-carboxamide
CID 55907687
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide
CID 55624392
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)pyrrole-2-carboxamide
CID 52731849
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 51924839
(3S)-N-methyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92708621
N-(2-methylphenyl)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 20879653
N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide
CID 6624076
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 24531918

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide (CID 60563323) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3nc(-c4cccs4)[nH]c3c2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide?
The InChIKey is BHLUEMNRLCXCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S2/c1-13-20(14(2)31-26-13)33(29,30)27-9-3-5-15(12-27)22(28)23-16-7-8-17-18(11-16)25-21(24-17)19-6-4-10-32-19/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 60563323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).