(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride

C14H17ClN2OS — CID 170910029

IUPAC(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCc1cccs1
InChIInChI=1S/C14H16N2OS.ClH/c15-13(9-11-5-2-1-3-6-11)14(17)16-10-12-7-4-8-18-12;/h1-8,13H,9-10,15H2,(H,16,17);1H/t13-;/m0./s1
InChIKeySLJIMLLVEHKWAK-ZOWNYOTGSA-N
MW296.82 g/mol
LogP2.36
Rot. Bonds5

About (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride

(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride (PubChem CID 170910029) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
PubChem CID170910029
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCc1cccs1
InChIInChI=1S/C14H16N2OS.ClH/c15-13(9-11-5-2-1-3-6-11)14(17)16-10-12-7-4-8-18-12;/h1-8,13H,9-10,15H2,(H,16,17);1H/t13-;/m0./s1
InChIKeySLJIMLLVEHKWAK-ZOWNYOTGSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 78985618
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CID 94230493
(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide
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2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
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CID 104983787
(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 26896563
(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 22690032
[[(2S)-2-amino-3-phenylpropanoyl]amino]methanesulfinate
CID 174817114
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
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2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride (CID 170910029) is (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NCc1cccs1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is SLJIMLLVEHKWAK-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H16N2OS.ClH/c15-13(9-11-5-2-1-3-6-11)14(17)16-10-12-7-4-8-18-12;/h1-8,13H,9-10,15H2,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 170910029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).