N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide

C18H24N4O3S — CID 166215680

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CCCCN3S(C)(=O)=O)cc2)c1C
InChIInChI=1S/C18H24N4O3S/c1-13-14(2)21(12-19-13)16-9-7-15(8-10-16)20-18(23)17-6-4-5-11-22(17)26(3,24)25/h7-10,12,17H,4-6,11H2,1-3H3,(H,20,23)
InChIKeyYBTBOQXEEIGHMB-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.24
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 166215680) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID166215680
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CCCCN3S(C)(=O)=O)cc2)c1C
InChIInChI=1S/C18H24N4O3S/c1-13-14(2)21(12-19-13)16-9-7-15(8-10-16)20-18(23)17-6-4-5-11-22(17)26(3,24)25/h7-10,12,17H,4-6,11H2,1-3H3,(H,20,23)
InChIKeyYBTBOQXEEIGHMB-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-methylsulfonylcyclohexane-1-carboxamide
CID 166251163
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55564355
N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55784405
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide
CID 166215537
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide
CID 166259664
N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429298
1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide
CID 60571418
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
1-methylsulfonyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-2-carboxamide
CID 55919536
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 166215680) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide is Cc1ncn(-c2ccc(NC(=O)C3CCCCN3S(C)(=O)=O)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is YBTBOQXEEIGHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-14(2)21(12-19-13)16-9-7-15(8-10-16)20-18(23)17-6-4-5-11-22(17)26(3,24)25/h7-10,12,17H,4-6,11H2,1-3H3,(H,20,23).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 166215680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).