[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

C24H25NO5S — CID 86971189

IUPAC[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C24H25NO5S/c26-24(25-14-7-8-19(16-25)17-30-21-9-3-1-4-10-21)23-20(13-15-29-23)18-31(27,28)22-11-5-2-6-12-22/h1-6,9-13,15,19H,7-8,14,16-18H2
InChIKeyORAJEYUMQSXIHK-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.18
Rot. Bonds7

About [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 86971189) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID86971189
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Name[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C24H25NO5S/c26-24(25-14-7-8-19(16-25)17-30-21-9-3-1-4-10-21)23-20(13-15-29-23)18-31(27,28)22-11-5-2-6-12-22/h1-6,9-13,15,19H,7-8,14,16-18H2
InChIKeyORAJEYUMQSXIHK-UHFFFAOYSA-N
XLogP4.18
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (CID 86971189) is [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is O=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is ORAJEYUMQSXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c26-24(25-14-7-8-19(16-25)17-30-21-9-3-1-4-10-21)23-20(13-15-29-23)18-31(27,28)22-11-5-2-6-12-22/h1-6,9-13,15,19H,7-8,14,16-18H2.
What are the key properties of [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 439.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 86971189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).