1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone

C22H24FNO6S — CID 5154703

IUPAC1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone
SMILESCC(=O)c1cc(F)ccc1OCC1CN(C(=O)CS(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C22H24FNO6S/c1-15-3-6-19(7-4-15)31(27,28)14-22(26)24-9-10-29-18(12-24)13-30-21-8-5-17(23)11-20(21)16(2)25/h3-8,11,18H,9-10,12-14H2,1-2H3
InChIKeyFTGSSPAXTMTGBZ-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.42
Rot. Bonds7

About 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone

1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone (PubChem CID 5154703) has the molecular formula C22H24FNO6S and a molecular weight of 449.50 g/mol. Its IUPAC name is 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone
PubChem CID5154703
Molecular FormulaC22H24FNO6S
Molecular Weight449.50 g/mol
Exact Mass449.13
IUPAC Name1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone
SMILESCC(=O)c1cc(F)ccc1OCC1CN(C(=O)CS(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C22H24FNO6S/c1-15-3-6-19(7-4-15)31(27,28)14-22(26)24-9-10-29-18(12-24)13-30-21-8-5-17(23)11-20(21)16(2)25/h3-8,11,18H,9-10,12-14H2,1-2H3
InChIKeyFTGSSPAXTMTGBZ-UHFFFAOYSA-N
XLogP2.42
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-acetyl-4-fluorophenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide
CID 3678645
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 74228782
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3601027
1-[2-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-5-fluorophenyl]ethanone
CID 3311022
2-[[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 3857212
[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
CID 74224503
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
1-[2-[[4-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbonyl]morpholin-2-yl]methoxy]-5-fluorophenyl]ethanone
CID 3447691
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one
CID 3758604
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-one
CID 3821360
1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 3865987
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone?
The IUPAC name of 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone (CID 5154703) is 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone.
What is the SMILES notation for 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone?
The canonical SMILES for 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone is CC(=O)c1cc(F)ccc1OCC1CN(C(=O)CS(=O)(=O)c2ccc(C)cc2)CCO1.
What is the InChIKey of 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone?
The InChIKey is FTGSSPAXTMTGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO6S/c1-15-3-6-19(7-4-15)31(27,28)14-22(26)24-9-10-29-18(12-24)13-30-21-8-5-17(23)11-20(21)16(2)25/h3-8,11,18H,9-10,12-14H2,1-2H3.
What are the key properties of 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone?
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone has a molecular weight of 449.50 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone is sourced from PubChem (CID 5154703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).