N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

C18H24N4O3S — CID 20958671

IUPACN-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1C
InChIInChI=1S/C18H24N4O3S/c1-13-6-7-16(9-14(13)2)20-18(23)15-5-4-8-22(10-15)26(24,25)17-11-21(3)12-19-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyPQORZDCZJGKZIY-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.08
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 20958671) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID20958671
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1C
InChIInChI=1S/C18H24N4O3S/c1-13-6-7-16(9-14(13)2)20-18(23)15-5-4-8-22(10-15)26(24,25)17-11-21(3)12-19-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyPQORZDCZJGKZIY-UHFFFAOYSA-N
XLogP2.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085666
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50794707
(3R)-N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710886
N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958655
(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92725572
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
(3R)-N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073543
(3S)-N-(4-bromo-3-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073532
(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710882
N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958662
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 50794744
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53085439

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 20958671) is N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PQORZDCZJGKZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-6-7-16(9-14(13)2)20-18(23)15-5-4-8-22(10-15)26(24,25)17-11-21(3)12-19-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20958671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).