N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide

C17H24N4O4S — CID 53181682

IUPACN-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccco2)c(C)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H24N4O4S/c1-12-16(17(22)18-11-15-5-4-10-25-15)19-13(2)21(12)14-6-8-20(9-7-14)26(3,23)24/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyACYFWFLBJKJVSH-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.62
Rot. Bonds5

About N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide

N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181682) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181682
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccco2)c(C)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H24N4O4S/c1-12-16(17(22)18-11-15-5-4-10-25-15)19-13(2)21(12)14-6-8-20(9-7-14)26(3,23)24/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyACYFWFLBJKJVSH-UHFFFAOYSA-N
XLogP1.62
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91906272
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
CID 53181622
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide
CID 3219915
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 40657057
N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604623
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
4-(furan-2-ylmethylsulfanylmethyl)-1-methylsulfonylpiperidine
CID 71801136
2-(furan-2-ylmethyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 75419046

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181682) is N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is Cc1nc(C(=O)NCc2ccco2)c(C)n1C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is ACYFWFLBJKJVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-12-16(17(22)18-11-15-5-4-10-25-15)19-13(2)21(12)14-6-8-20(9-7-14)26(3,23)24/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,22).
What are the key properties of N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).