(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride

C16H21ClN2O2S — CID 119342483

IUPAC(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(Cc1ccccc1)CC(O)c1cccs1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-12(17)16(20)18(10-13-6-3-2-4-7-13)11-14(19)15-8-5-9-21-15;/h2-9,12,14,19H,10-11,17H2,1H3;1H/t12-,14?;/m0./s1
InChIKeyVYEICNUWUGBFJJ-GUDMUQDVSA-N
MW340.88 g/mol
LogP2.58
Rot. Bonds6

About (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride

(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride (PubChem CID 119342483) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride
PubChem CID119342483
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(Cc1ccccc1)CC(O)c1cccs1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-12(17)16(20)18(10-13-6-3-2-4-7-13)11-14(19)15-8-5-9-21-15;/h2-9,12,14,19H,10-11,17H2,1H3;1H/t12-,14?;/m0./s1
InChIKeyVYEICNUWUGBFJJ-GUDMUQDVSA-N
XLogP2.58
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97054031
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119816672
2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide
CID 115286106
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119816685
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 119816673
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119816686
(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 97054048
2-amino-N-benzyl-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 115286511
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride
CID 120501786

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride (CID 119342483) is (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride is C[C@H](N)C(=O)N(Cc1ccccc1)CC(O)c1cccs1.Cl.
What is the InChIKey of (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride?
The InChIKey is VYEICNUWUGBFJJ-GUDMUQDVSA-N. The full InChI is InChI=1S/C16H20N2O2S.ClH/c1-12(17)16(20)18(10-13-6-3-2-4-7-13)11-14(19)15-8-5-9-21-15;/h2-9,12,14,19H,10-11,17H2,1H3;1H/t12-,14?;/m0./s1.
What are the key properties of (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride?
(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119342483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).