N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C21H22N4O3S — CID 134000431

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)n1-c1ccccc1
InChIInChI=1S/C21H22N4O3S/c1-29-21-22-14-17(25(21)16-6-3-2-4-7-16)19(26)23-15-9-11-24(12-10-15)20(27)18-8-5-13-28-18/h2-8,13-15H,9-12H2,1H3,(H,23,26)
InChIKeyGASDAPQWZSPQPI-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.22
Rot. Bonds5

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 134000431) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID134000431
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)n1-c1ccccc1
InChIInChI=1S/C21H22N4O3S/c1-29-21-22-14-17(25(21)16-6-3-2-4-7-16)19(26)23-15-9-11-24(12-10-15)20(27)18-8-5-13-28-18/h2-8,13-15H,9-12H2,1H3,(H,23,26)
InChIKeyGASDAPQWZSPQPI-UHFFFAOYSA-N
XLogP3.22
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134000256
3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide
CID 78809507
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 134000260
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46553202
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
5-fluoro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136514589
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060142
1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 134000355
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 55634715

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 134000431) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CSc1ncc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)n1-c1ccccc1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is GASDAPQWZSPQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-29-21-22-14-17(25(21)16-6-3-2-4-7-16)19(26)23-15-9-11-24(12-10-15)20(27)18-8-5-13-28-18/h2-8,13-15H,9-12H2,1H3,(H,23,26).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 134000431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).