[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

C20H23FN2O6S — CID 55463063

IUPAC[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
SMILESCS(=O)(=O)N1CCN(C(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C20H23FN2O6S/c1-30(26,27)23-12-10-22(11-13-23)19(24)14-28-20(25)9-7-15-6-8-18(29-15)16-4-2-3-5-17(16)21/h2-6,8H,7,9-14H2,1H3
InChIKeyXGSYAEDMNGDFCK-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.67
Rot. Bonds7

About [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (PubChem CID 55463063) has the molecular formula C20H23FN2O6S and a molecular weight of 438.48 g/mol. Its IUPAC name is [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.

Molecular Properties

Compound Name[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
PubChem CID55463063
Molecular FormulaC20H23FN2O6S
Molecular Weight438.48 g/mol
Exact Mass438.13
IUPAC Name[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
SMILESCS(=O)(=O)N1CCN(C(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C20H23FN2O6S/c1-30(26,27)23-12-10-22(11-13-23)19(24)14-28-20(25)9-7-15-6-8-18(29-15)16-4-2-3-5-17(16)21/h2-6,8H,7,9-14H2,1H3
InChIKeyXGSYAEDMNGDFCK-UHFFFAOYSA-N
XLogP1.67
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2092218
ethyl (2Z)-2-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2110432
Ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 3946911
2-(3-Acetylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 7921518
2-(3-Acetylphenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 7921625
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
CID 8520568
[2-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8648862
[2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8648869
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
CID 8665904
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
CID 8665905
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
CID 8665907
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
CID 8665910

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The IUPAC name of [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (CID 55463063) is [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.
What is the SMILES notation for [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The canonical SMILES for [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is CS(=O)(=O)N1CCN(C(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)CC1.
What is the InChIKey of [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The InChIKey is XGSYAEDMNGDFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O6S/c1-30(26,27)23-12-10-22(11-13-23)19(24)14-28-20(25)9-7-15-6-8-18(29-15)16-4-2-3-5-17(16)21/h2-6,8H,7,9-14H2,1H3.
What are the key properties of [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate has a molecular weight of 438.48 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is sourced from PubChem (CID 55463063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).