ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride

C16H19Cl2NO2S — CID 141274258

IUPACethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
SMILESCCOC(=O)[C@@H](NCCc1cccs1)c1ccccc1Cl.Cl
InChIInChI=1S/C16H18ClNO2S.ClH/c1-2-20-16(19)15(13-7-3-4-8-14(13)17)18-10-9-12-6-5-11-21-12;/h3-8,11,15,18H,2,9-10H2,1H3;1H/t15-;/m0./s1
InChIKeyJMUDQKYQPXHARY-RSAXXLAASA-N
MW360.31 g/mol
LogP4.26
Rot. Bonds7

About ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride

ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride (PubChem CID 141274258) has the molecular formula C16H19Cl2NO2S and a molecular weight of 360.31 g/mol. Its IUPAC name is ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
PubChem CID141274258
Molecular FormulaC16H19Cl2NO2S
Molecular Weight360.31 g/mol
Exact Mass359.05
IUPAC Nameethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
SMILESCCOC(=O)[C@@H](NCCc1cccs1)c1ccccc1Cl.Cl
InChIInChI=1S/C16H18ClNO2S.ClH/c1-2-20-16(19)15(13-7-3-4-8-14(13)17)18-10-9-12-6-5-11-21-12;/h3-8,11,15,18H,2,9-10H2,1H3;1H/t15-;/m0./s1
InChIKeyJMUDQKYQPXHARY-RSAXXLAASA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 24938549
(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
CID 174603780
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
(2-thiophen-2-ylethylamino) 2-(2-chlorophenyl)propanoate
CID 21187056
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
[(2-chlorophenyl)-(2-thiophen-2-ylethylamino)methyl]sulfanylformic acid
CID 163919902
methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride
CID 71473339
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene
CID 174652902
ethyl 2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 66156855
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate
CID 13111463

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride?
The IUPAC name of ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride (CID 141274258) is ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride?
The canonical SMILES for ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride is CCOC(=O)[C@@H](NCCc1cccs1)c1ccccc1Cl.Cl.
What is the InChIKey of ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride?
The InChIKey is JMUDQKYQPXHARY-RSAXXLAASA-N. The full InChI is InChI=1S/C16H18ClNO2S.ClH/c1-2-20-16(19)15(13-7-3-4-8-14(13)17)18-10-9-12-6-5-11-21-12;/h3-8,11,15,18H,2,9-10H2,1H3;1H/t15-;/m0./s1.
What are the key properties of ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride?
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride has a molecular weight of 360.31 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride is sourced from PubChem (CID 141274258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).