[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate

C20H23NO4S — CID 8550911

IUPAC[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
SMILESCOc1ccc(SCC(=O)OCC(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4S/c1-15(16-6-4-3-5-7-16)12-21-19(22)13-25-20(23)14-26-18-10-8-17(24-2)9-11-18/h3-11,15H,12-14H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyWVZAQNPXVATKQQ-OAHLLOKOSA-N
MW373.47 g/mol
LogP3.25
Rot. Bonds9

About [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate (PubChem CID 8550911) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
PubChem CID8550911
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
SMILESCOc1ccc(SCC(=O)OCC(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4S/c1-15(16-6-4-3-5-7-16)12-21-19(22)13-25-20(23)14-26-18-10-8-17(24-2)9-11-18/h3-11,15H,12-14H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyWVZAQNPXVATKQQ-OAHLLOKOSA-N
XLogP3.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8551432
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550220
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549305
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548083
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 7867083
propan-2-yl 4-[[2-[2-(4-methoxyphenyl)sulfanylacetyl]oxyacetyl]amino]benzoate
CID 8551114
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547908
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
CID 7703814

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate (CID 8550911) is [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate is COc1ccc(SCC(=O)OCC(=O)NC[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate?
The InChIKey is WVZAQNPXVATKQQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-15(16-6-4-3-5-7-16)12-21-19(22)13-25-20(23)14-26-18-10-8-17(24-2)9-11-18/h3-11,15H,12-14H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate?
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate has a molecular weight of 373.47 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate is sourced from PubChem (CID 8550911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).