1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide

C27H28N4O3S — CID 55387795

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(-c4ccccc4)nc4ccccn34)CC2)c(C)c1
InChIInChI=1S/C27H28N4O3S/c1-19-11-12-23(20(2)18-19)35(33,34)30-16-13-22(14-17-30)27(32)29-26-25(21-8-4-3-5-9-21)28-24-10-6-7-15-31(24)26/h3-12,15,18,22H,13-14,16-17H2,1-2H3,(H,29,32)
InChIKeyJASRACBEELLIIS-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.66
Rot. Bonds5

About 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide (PubChem CID 55387795) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
PubChem CID55387795
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(-c4ccccc4)nc4ccccn34)CC2)c(C)c1
InChIInChI=1S/C27H28N4O3S/c1-19-11-12-23(20(2)18-19)35(33,34)30-16-13-22(14-17-30)27(32)29-26-25(21-8-4-3-5-9-21)28-24-10-6-7-15-31(24)26/h3-12,15,18,22H,13-14,16-17H2,1-2H3,(H,29,32)
InChIKeyJASRACBEELLIIS-UHFFFAOYSA-N
XLogP4.66
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
CID 55415351
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694066
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 40656282
1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 41499726
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclopropanecarboxamide
CID 42694105
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-6-ylpiperidine-4-carboxamide
CID 71540947
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
N-(2-acetylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26067591
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 55388331
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide (CID 55387795) is 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(-c4ccccc4)nc4ccccn34)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide?
The InChIKey is JASRACBEELLIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-19-11-12-23(20(2)18-19)35(33,34)30-16-13-22(14-17-30)27(32)29-26-25(21-8-4-3-5-9-21)28-24-10-6-7-15-31(24)26/h3-12,15,18,22H,13-14,16-17H2,1-2H3,(H,29,32).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55387795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).