[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate

C19H20FNO3S — CID 7806277

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
SMILESC[C@H](Sc1ccccc1)C(=O)OCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO3S/c1-14(25-17-5-3-2-4-6-17)19(23)24-13-18(22)21-12-11-15-7-9-16(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyJMTJDFWLFAZEFL-AWEZNQCLSA-N
MW361.44 g/mol
LogP3.21
Rot. Bonds8

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate (PubChem CID 7806277) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
PubChem CID7806277
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
SMILESC[C@H](Sc1ccccc1)C(=O)OCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO3S/c1-14(25-17-5-3-2-4-6-17)19(23)24-13-18(22)21-12-11-15-7-9-16(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyJMTJDFWLFAZEFL-AWEZNQCLSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772104
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
[2-(2,6-difluoroanilino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806658
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806670
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(4-fluorophenyl)acetate
CID 9198812
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate
CID 7229070
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806639

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate (CID 7806277) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate is C[C@H](Sc1ccccc1)C(=O)OCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate?
The InChIKey is JMTJDFWLFAZEFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-14(25-17-5-3-2-4-6-17)19(23)24-13-18(22)21-12-11-15-7-9-16(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate has a molecular weight of 361.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate is sourced from PubChem (CID 7806277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).