methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate

C16H18O2S — CID 134951408

IUPACmethyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate
SMILESCOC(=O)[C@@H](CCCc1cccs1)c1ccccc1
InChIInChI=1S/C16H18O2S/c1-18-16(17)15(13-7-3-2-4-8-13)11-5-9-14-10-6-12-19-14/h2-4,6-8,10,12,15H,5,9,11H2,1H3/t15-/m0/s1
InChIKeyWGRNGIIEVOCPHY-HNNXBMFYSA-N
MW274.39 g/mol
LogP4.03
Rot. Bonds6

About methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate

methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate (PubChem CID 134951408) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate
PubChem CID134951408
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Namemethyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate
SMILESCOC(=O)[C@@H](CCCc1cccs1)c1ccccc1
InChIInChI=1S/C16H18O2S/c1-18-16(17)15(13-7-3-2-4-8-13)11-5-9-14-10-6-12-19-14/h2-4,6-8,10,12,15H,5,9,11H2,1H3/t15-/m0/s1
InChIKeyWGRNGIIEVOCPHY-HNNXBMFYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenylheptanoate
CID 143443478
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
CID 62878139
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 62109356
methyl 12-hydroxy-2-phenyloctadecanoate
CID 139643446
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431
methyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881287
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-thiophen-2-ylbutanoate
CID 7962901
methyl 5-oxo-2,7-diphenylheptanoate
CID 177492008

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate?
The IUPAC name of methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate (CID 134951408) is methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate.
What is the SMILES notation for methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate?
The canonical SMILES for methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate is COC(=O)[C@@H](CCCc1cccs1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate?
The InChIKey is WGRNGIIEVOCPHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-18-16(17)15(13-7-3-2-4-8-13)11-5-9-14-10-6-12-19-14/h2-4,6-8,10,12,15H,5,9,11H2,1H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate?
methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate has a molecular weight of 274.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate is sourced from PubChem (CID 134951408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).