[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate

C22H25FN2O7S — CID 55518911

IUPAC[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN2O7S/c1-16(32-19-7-5-18(30-2)6-8-19)22(27)31-15-21(26)24-11-13-25(14-12-24)33(28,29)20-9-3-17(23)4-10-20/h3-10,16H,11-15H2,1-2H3
InChIKeyRLZCXZAWQQVMEK-UHFFFAOYSA-N
MW480.51 g/mol
LogP1.68
Rot. Bonds8

About [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate

[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate (PubChem CID 55518911) has the molecular formula C22H25FN2O7S and a molecular weight of 480.51 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate
PubChem CID55518911
Molecular FormulaC22H25FN2O7S
Molecular Weight480.51 g/mol
Exact Mass480.14
IUPAC Name[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN2O7S/c1-16(32-19-7-5-18(30-2)6-8-19)22(27)31-15-21(26)24-11-13-25(14-12-24)33(28,29)20-9-3-17(23)4-10-20/h3-10,16H,11-15H2,1-2H3
InChIKeyRLZCXZAWQQVMEK-UHFFFAOYSA-N
XLogP1.68
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate with MolForge

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Related Compounds

(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8933880
cis-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230422
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 4822189
2-(4-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4820535
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one
CID 9496484
3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678794
2-(4-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8924861
4-[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 8924756
4-[(2R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 8924760
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate?
The IUPAC name of [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate (CID 55518911) is [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate is COc1ccc(OC(C)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate?
The InChIKey is RLZCXZAWQQVMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O7S/c1-16(32-19-7-5-18(30-2)6-8-19)22(27)31-15-21(26)24-11-13-25(14-12-24)33(28,29)20-9-3-17(23)4-10-20/h3-10,16H,11-15H2,1-2H3.
What are the key properties of [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate?
[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate has a molecular weight of 480.51 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 55518911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).