(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide

C15H18N2OS — CID 78971343

IUPAC(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCc1ccsc1
InChIInChI=1S/C15H18N2OS/c16-14(10-12-4-2-1-3-5-12)15(18)17-8-6-13-7-9-19-11-13/h1-5,7,9,11,14H,6,8,10,16H2,(H,17,18)/t14-/m0/s1
InChIKeyJHPMPXULVDQOID-AWEZNQCLSA-N
MW274.39 g/mol
LogP1.98
Rot. Bonds6

About (2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide

(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide (PubChem CID 78971343) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
PubChem CID78971343
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCc1ccsc1
InChIInChI=1S/C15H18N2OS/c16-14(10-12-4-2-1-3-5-12)15(18)17-8-6-13-7-9-19-11-13/h1-5,7,9,11,14H,6,8,10,16H2,(H,17,18)/t14-/m0/s1
InChIKeyJHPMPXULVDQOID-AWEZNQCLSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398
2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 78069023
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide (CID 78971343) is (2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide is N[C@@H](Cc1ccccc1)C(=O)NCCc1ccsc1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide?
The InChIKey is JHPMPXULVDQOID-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-14(10-12-4-2-1-3-5-12)15(18)17-8-6-13-7-9-19-11-13/h1-5,7,9,11,14H,6,8,10,16H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide?
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide has a molecular weight of 274.39 g/mol, XLogP of 1.98, 6 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-(2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 78971343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).