ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate

C18H20BrN3O6S — CID 55756486

IUPACethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)o1
InChIInChI=1S/C18H20BrN3O6S/c1-2-27-18(24)14-4-6-16(28-14)29(25,26)22-9-7-12(8-10-22)17(23)21-15-5-3-13(19)11-20-15/h3-6,11-12H,2,7-10H2,1H3,(H,20,21,23)
InChIKeyZNVSFFPHFBTNNK-UHFFFAOYSA-N
MW486.34 g/mol
LogP2.65
Rot. Bonds6

About ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate

ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate (PubChem CID 55756486) has the molecular formula C18H20BrN3O6S and a molecular weight of 486.34 g/mol. Its IUPAC name is ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
PubChem CID55756486
Molecular FormulaC18H20BrN3O6S
Molecular Weight486.34 g/mol
Exact Mass485.03
IUPAC Nameethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)o1
InChIInChI=1S/C18H20BrN3O6S/c1-2-27-18(24)14-4-6-16(28-14)29(25,26)22-9-7-12(8-10-22)17(23)21-15-5-3-13(19)11-20-15/h3-6,11-12H,2,7-10H2,1H3,(H,20,21,23)
InChIKeyZNVSFFPHFBTNNK-UHFFFAOYSA-N
XLogP2.65
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate with MolForge

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Related Compounds

ethyl 5-[4-[(4-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650662
ethyl 5-[4-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55651934
ethyl 5-[[1-(5-ethoxycarbonylfuran-2-yl)sulfonylpiperidine-4-carbonyl]amino]thiadiazole-4-carboxylate
CID 55671086
ethyl 5-[4-[(2-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55667340
ethyl 5-[4-[(2-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 47045209
ethyl 5-[4-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55672503
ethyl 5-[4-[(1-methoxycarbonylcycloheptyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 47029743
N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55913923
ethyl 5-[4-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55668655
ethyl 5-[4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650324
ethyl 5-[4-[(1-methoxycarbonyl-4-methylcyclohexyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55808924
1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87032919

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate?
The IUPAC name of ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate (CID 55756486) is ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate?
The canonical SMILES for ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)o1.
What is the InChIKey of ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate?
The InChIKey is ZNVSFFPHFBTNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O6S/c1-2-27-18(24)14-4-6-16(28-14)29(25,26)22-9-7-12(8-10-22)17(23)21-15-5-3-13(19)11-20-15/h3-6,11-12H,2,7-10H2,1H3,(H,20,21,23).
What are the key properties of ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate?
ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate has a molecular weight of 486.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate is sourced from PubChem (CID 55756486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).