(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

C23H25FN2O7S — CID 43031541

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H25FN2O7S/c24-19-7-6-18(16-20(19)34(29,30)26-10-14-32-15-11-26)23(28)33-21(17-4-2-1-3-5-17)22(27)25-8-12-31-13-9-25/h1-7,16,21H,8-15H2
InChIKeyJTJOOTVASNSWDT-UHFFFAOYSA-N
MW492.53 g/mol
LogP1.60
Rot. Bonds6

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 43031541) has the molecular formula C23H25FN2O7S and a molecular weight of 492.53 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
PubChem CID43031541
Molecular FormulaC23H25FN2O7S
Molecular Weight492.53 g/mol
Exact Mass492.14
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H25FN2O7S/c24-19-7-6-18(16-20(19)34(29,30)26-10-14-32-15-11-26)23(28)33-21(17-4-2-1-3-5-17)22(27)25-8-12-31-13-9-25/h1-7,16,21H,8-15H2
InChIKeyJTJOOTVASNSWDT-UHFFFAOYSA-N
XLogP1.60
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

(1-oxo-1-phenylpropan-2-yl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16578086
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate
CID 43031545
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 8778499
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 7694523
(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 55313339
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 8873587
cyanomethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2681686

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CID 43031541) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is O=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is JTJOOTVASNSWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O7S/c24-19-7-6-18(16-20(19)34(29,30)26-10-14-32-15-11-26)23(28)33-21(17-4-2-1-3-5-17)22(27)25-8-12-31-13-9-25/h1-7,16,21H,8-15H2.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 492.53 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 43031541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).