methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate

C15H16ClNO2S — CID 11120447

IUPACmethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate
SMILESCOC(=O)[C@@H](NCCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,14,17H,8-9H2,1H3/t14-/m0/s1
InChIKeyPAOGEKGFTGONII-AWEZNQCLSA-N
MW309.82 g/mol
LogP3.45
Rot. Bonds6

About methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate

methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate (PubChem CID 11120447) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate
PubChem CID11120447
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Namemethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate
SMILESCOC(=O)[C@@H](NCCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,14,17H,8-9H2,1H3/t14-/m0/s1
InChIKeyPAOGEKGFTGONII-AWEZNQCLSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Clopidogrel
CID 60606
Clopidogrel Bisulfate
CID 115366
(RS)-Clopidogrel
CID 2806
2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid
CID 4129546
Clopidogrel Hydrochloride
CID 9798860
(+-)-Clopidogrel bisulfate
CID 16757820
Clopidogrel carboxylic acid
CID 9861403
Plavix
CID 24883467
Clopidogrel hydrobromide
CID 11304210
(R)-Clopidogrel
CID 667556
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenyl)acetate
CID 2365512
Ethyl 3-(2-chlorophenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 5036937

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate?
The IUPAC name of methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate (CID 11120447) is methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate.
What is the SMILES notation for methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate?
The canonical SMILES for methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate is COC(=O)[C@@H](NCCc1cccs1)c1ccccc1Cl.
What is the InChIKey of methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate?
The InChIKey is PAOGEKGFTGONII-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,14,17H,8-9H2,1H3/t14-/m0/s1.
What are the key properties of methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate?
methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate has a molecular weight of 309.82 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate is sourced from PubChem (CID 11120447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).