[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate

C19H19FO4S — CID 55312601

IUPAC[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCOc1ccc(C(=O)C(C)OC(=O)CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FO4S/c1-13(19(22)14-3-7-16(23-2)8-4-14)24-18(21)11-12-25-17-9-5-15(20)6-10-17/h3-10,13H,11-12H2,1-2H3
InChIKeyDJYLBUTWPINZGG-UHFFFAOYSA-N
MW362.42 g/mol
LogP4.13
Rot. Bonds8

About [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 55312601) has the molecular formula C19H19FO4S and a molecular weight of 362.42 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID55312601
Molecular FormulaC19H19FO4S
Molecular Weight362.42 g/mol
Exact Mass362.10
IUPAC Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCOc1ccc(C(=O)C(C)OC(=O)CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FO4S/c1-13(19(22)14-3-7-16(23-2)8-4-14)24-18(21)11-12-25-17-9-5-15(20)6-10-17/h3-10,13H,11-12H2,1-2H3
InChIKeyDJYLBUTWPINZGG-UHFFFAOYSA-N
XLogP4.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7827959
(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate
CID 55316588
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate
CID 4083668
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7650981
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884403
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821392
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764294
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657821
propyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 78907883

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 55312601) is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate is COc1ccc(C(=O)C(C)OC(=O)CCSc2ccc(F)cc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is DJYLBUTWPINZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4S/c1-13(19(22)14-3-7-16(23-2)8-4-14)24-18(21)11-12-25-17-9-5-15(20)6-10-17/h3-10,13H,11-12H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate?
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 362.42 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 55312601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).