2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride

C15H19ClN2O2S — CID 120593036

IUPAC2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCC(O)c1ccsc1)c1ccccc1.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-15(16,12-5-3-2-4-6-12)14(19)17-9-13(18)11-7-8-20-10-11;/h2-8,10,13,18H,9,16H2,1H3,(H,17,19);1H
InChIKeyJNIXLKQADGFHIY-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.19
Rot. Bonds5

About 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride

2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride (PubChem CID 120593036) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
PubChem CID120593036
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCC(O)c1ccsc1)c1ccccc1.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-15(16,12-5-3-2-4-6-12)14(19)17-9-13(18)11-7-8-20-10-11;/h2-8,10,13,18H,9,16H2,1H3,(H,17,19);1H
InChIKeyJNIXLKQADGFHIY-UHFFFAOYSA-N
XLogP2.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
CID 120595403
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2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
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1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol
CID 106435302
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 119798622
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-2-phenylpropanamide
CID 120589210
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224591
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
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(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
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CID 106435391

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride (CID 120593036) is 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)NCC(O)c1ccsc1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride?
The InChIKey is JNIXLKQADGFHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S.ClH/c1-15(16,12-5-3-2-4-6-12)14(19)17-9-13(18)11-7-8-20-10-11;/h2-8,10,13,18H,9,16H2,1H3,(H,17,19);1H.
What are the key properties of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride?
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120593036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).