[2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C21H22FNO6S — CID 2356085

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)c1ccccc1F
InChIInChI=1S/C21H22FNO6S/c22-19-4-2-1-3-18(19)20(24)15-29-21(25)10-7-16-5-8-17(9-6-16)30(26,27)23-11-13-28-14-12-23/h1-6,8-9H,7,10-15H2
InChIKeyOICYYLRBKIAGDH-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.21
Rot. Bonds8

About [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

[2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 2356085) has the molecular formula C21H22FNO6S and a molecular weight of 435.47 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID2356085
Molecular FormulaC21H22FNO6S
Molecular Weight435.47 g/mol
Exact Mass435.12
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)c1ccccc1F
InChIInChI=1S/C21H22FNO6S/c22-19-4-2-1-3-18(19)20(24)15-29-21(25)10-7-16-5-8-17(9-6-16)30(26,27)23-11-13-28-14-12-23/h1-6,8-9H,7,10-15H2
InChIKeyOICYYLRBKIAGDH-UHFFFAOYSA-N
XLogP2.21
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-phenyl-ethyl ester
CID 1124162
Phenacyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 1117953
2-(4-Fluorophenyl)-2-oxoethyl [(phenylsulfonyl)amino]acetate
CID 1620317
(2-Oxocyclohexyl) 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3294241
(1-Oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3442790
[1-(4-Ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 5038753
Phenacyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2346311
Phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
[2-(4-Methylphenyl)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 2355596
[1-(4-Ethylphenyl)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 4638117
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 25162561
phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2380656

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 2356085) is [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is OICYYLRBKIAGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO6S/c22-19-4-2-1-3-18(19)20(24)15-29-21(25)10-7-16-5-8-17(9-6-16)30(26,27)23-11-13-28-14-12-23/h1-6,8-9H,7,10-15H2.
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
[2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 435.47 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 2356085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).