[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

C18H17F2NO3S — CID 2571522

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESO=C(COC(=O)CCSc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H17F2NO3S/c19-14-3-1-13(2-4-14)11-21-17(22)12-24-18(23)9-10-25-16-7-5-15(20)6-8-16/h1-8H,9-12H2,(H,21,22)
InChIKeyNWYIEWGXSVCBLR-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.31
Rot. Bonds8

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 2571522) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID2571522
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESO=C(COC(=O)CCSc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H17F2NO3S/c19-14-3-1-13(2-4-14)11-21-17(22)12-24-18(23)9-10-25-16-7-5-15(20)6-8-16/h1-8H,9-12H2,(H,21,22)
InChIKeyNWYIEWGXSVCBLR-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2357308
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552529
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
[2-(Benzylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2081530
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2339636
[2-(Benzylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 2352571
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2432823
[2-(Cyclohexylmethylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2458106
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
CID 2999545
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 4783453
[2-Oxo-2-(2-phenylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16496039
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24819842

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 2571522) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is O=C(COC(=O)CCSc1ccc(F)cc1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is NWYIEWGXSVCBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c19-14-3-1-13(2-4-14)11-21-17(22)12-24-18(23)9-10-25-16-7-5-15(20)6-8-16/h1-8H,9-12H2,(H,21,22).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 365.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 2571522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).