[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate

C20H23NO3S — CID 7806692

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C20H23NO3S/c1-14(2)17-11-7-8-12-18(17)21-19(22)13-24-20(23)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyRENZBRJFXZZRNL-OAHLLOKOSA-N
MW357.48 g/mol
LogP4.47
Rot. Bonds7

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate (PubChem CID 7806692) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate
PubChem CID7806692
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C20H23NO3S/c1-14(2)17-11-7-8-12-18(17)21-19(22)13-24-20(23)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyRENZBRJFXZZRNL-OAHLLOKOSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806639
ethyl 2-[[2-[(2S)-2-phenylsulfanylpropanoyl]oxyacetyl]amino]benzoate
CID 7806735
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806358
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834198
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate
CID 2385789
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806673
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806797
[2-(2,6-difluoroanilino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806658
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821134
methyl 4-methyl-3-[[2-[(2S)-2-phenylsulfanylpropanoyl]oxyacetyl]amino]benzoate
CID 7806369
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
(2-benzamido-2-oxoethyl) (2S)-2-phenylsulfanylpropanoate
CID 7806485

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate (CID 7806692) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate is CC(C)c1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate?
The InChIKey is RENZBRJFXZZRNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-14(2)17-11-7-8-12-18(17)21-19(22)13-24-20(23)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate has a molecular weight of 357.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate is sourced from PubChem (CID 7806692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).