methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride

C15H17Cl2NO2S — CID 24938549

IUPACmethyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
SMILESCOC(=O)[C@H](NCCc1cccs1)c1ccccc1Cl.Cl
InChIInChI=1S/C15H16ClNO2S.ClH/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;1H/t14-;/m1./s1
InChIKeyZXANKCFSGFEBQW-PFEQFJNWSA-N
MW346.28 g/mol
LogP3.87
Rot. Bonds6

About methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride

methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride (PubChem CID 24938549) has the molecular formula C15H17Cl2NO2S and a molecular weight of 346.28 g/mol. Its IUPAC name is methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
PubChem CID24938549
Molecular FormulaC15H17Cl2NO2S
Molecular Weight346.28 g/mol
Exact Mass345.04
IUPAC Namemethyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
SMILESCOC(=O)[C@H](NCCc1cccs1)c1ccccc1Cl.Cl
InChIInChI=1S/C15H16ClNO2S.ClH/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;1H/t14-;/m1./s1
InChIKeyZXANKCFSGFEBQW-PFEQFJNWSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
CID 174603780
methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride
CID 71473339
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
(2-thiophen-2-ylethylamino) 2-(2-chlorophenyl)propanoate
CID 21187056
methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 54894684
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene
CID 174652902
[(2-chlorophenyl)-(2-thiophen-2-ylethylamino)methyl]sulfanylformic acid
CID 163919902
methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
CID 78845715
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
methyl 2-(2-cyclopropylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 79972889
1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99601536

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride (CID 24938549) is methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride is COC(=O)[C@H](NCCc1cccs1)c1ccccc1Cl.Cl.
What is the InChIKey of methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride?
The InChIKey is ZXANKCFSGFEBQW-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H16ClNO2S.ClH/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;1H/t14-;/m1./s1.
What are the key properties of methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride?
methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride has a molecular weight of 346.28 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride is sourced from PubChem (CID 24938549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).