[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate

C18H19NO6S — CID 2640418

IUPAC[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H19NO6S/c20-16(13-25-18(21)17-5-4-12-24-17)14-6-8-15(9-7-14)26(22,23)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11,13H2
InChIKeyVBIHWVTXYQDKDJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.49
Rot. Bonds6

About [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate

[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate (PubChem CID 2640418) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate
PubChem CID2640418
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H19NO6S/c20-16(13-25-18(21)17-5-4-12-24-17)14-6-8-15(9-7-14)26(22,23)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11,13H2
InChIKeyVBIHWVTXYQDKDJ-UHFFFAOYSA-N
XLogP2.49
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 5-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]oxymethyl]furan-2-carboxylate
CID 2569129
2-Furylmethyl 1-[(4-methylphenyl)sulfonyl]prolinate
CID 2975271
2-(4-Fluorophenoxy)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4796313
1-(3,4-Dimethylphenyl)sulfonylisonipecotic acid (5-carbomethoxy-2-furyl)methyl ester
CID 24686803
2-(4-Methoxyphenyl)acetic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester
CID 25163176
4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide
CID 3730213
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate
CID 4842674
(3-(2-Furyl)-1-methylpropyl)methyl[(4-methylphenyl)sulfonyl]amine
CID 19583554
(5-Methoxycarbonylfuran-2-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 16339020
2-Furylmethyl 4-(1-piperidinylsulfonyl)benzoate
CID 2221761
[2-Oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 5-methylfuran-2-carboxylate
CID 2627212
[2-Oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 5-bromofuran-2-carboxylate
CID 2645512

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate (CID 2640418) is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate?
The InChIKey is VBIHWVTXYQDKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c20-16(13-25-18(21)17-5-4-12-24-17)14-6-8-15(9-7-14)26(22,23)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11,13H2.
What are the key properties of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate?
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate is sourced from PubChem (CID 2640418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).