1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one

C23H25F2NO5S — CID 3768137

IUPAC1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(OCC2CN(C(=O)c3ccc(SC)cc3OC)CCO2)c(F)c1
InChIInChI=1S/C23H25F2NO5S/c1-4-20(27)14-9-18(24)22(19(25)10-14)31-13-15-12-26(7-8-30-15)23(28)17-6-5-16(32-3)11-21(17)29-2/h5-6,9-11,15H,4,7-8,12-13H2,1-3H3
InChIKeyIKRNMAWFMPTWOM-UHFFFAOYSA-N
MW465.52 g/mol
LogP4.21
Rot. Bonds8

About 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one

1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one (PubChem CID 3768137) has the molecular formula C23H25F2NO5S and a molecular weight of 465.52 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one
PubChem CID3768137
Molecular FormulaC23H25F2NO5S
Molecular Weight465.52 g/mol
Exact Mass465.14
IUPAC Name1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(OCC2CN(C(=O)c3ccc(SC)cc3OC)CCO2)c(F)c1
InChIInChI=1S/C23H25F2NO5S/c1-4-20(27)14-9-18(24)22(19(25)10-14)31-13-15-12-26(7-8-30-15)23(28)17-6-5-16(32-3)11-21(17)29-2/h5-6,9-11,15H,4,7-8,12-13H2,1-3H3
InChIKeyIKRNMAWFMPTWOM-UHFFFAOYSA-N
XLogP4.21
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one with MolForge

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Related Compounds

[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 3849791
1-[4-[[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 23964317
1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 3272665
(2-methoxy-4-methylsulfanylphenyl)-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone
CID 74228530
1-[4-[[4-(1-benzoylpiperidine-4-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 3747627
[2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate
CID 3859574
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
1-[3,5-difluoro-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 74226394
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3690681
1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 74228421

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one (CID 3768137) is 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one is CCC(=O)c1cc(F)c(OCC2CN(C(=O)c3ccc(SC)cc3OC)CCO2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one?
The InChIKey is IKRNMAWFMPTWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2NO5S/c1-4-20(27)14-9-18(24)22(19(25)10-14)31-13-15-12-26(7-8-30-15)23(28)17-6-5-16(32-3)11-21(17)29-2/h5-6,9-11,15H,4,7-8,12-13H2,1-3H3.
What are the key properties of 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one?
1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one has a molecular weight of 465.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one is sourced from PubChem (CID 3768137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).