(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide

C16H20N2OS — CID 104983787

IUPAC(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NCCc1cccs1
InChIInChI=1S/C16H20N2OS/c17-15(9-8-13-5-2-1-3-6-13)16(19)18-11-10-14-7-4-12-20-14/h1-7,12,15H,8-11,17H2,(H,18,19)/t15-/m0/s1
InChIKeyBNQRKUDDKGVMIQ-HNNXBMFYSA-N
MW288.42 g/mol
LogP2.37
Rot. Bonds7

About (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide

(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 104983787) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID104983787
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NCCc1cccs1
InChIInChI=1S/C16H20N2OS/c17-15(9-8-13-5-2-1-3-6-13)16(19)18-11-10-14-7-4-12-20-14/h1-7,12,15H,8-11,17H2,(H,18,19)/t15-/m0/s1
InChIKeyBNQRKUDDKGVMIQ-HNNXBMFYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
CID 18111263
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 61148881
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide;dihydrochloride
CID 119687948
(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide
CID 46230364
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749
(2S)-2-amino-N-[3-(methylamino)-3-oxopropyl]-4-phenylbutanamide
CID 104984281
2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide (CID 104983787) is (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide is N[C@@H](CCc1ccccc1)C(=O)NCCc1cccs1.
What is the InChIKey of (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is BNQRKUDDKGVMIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-15(9-8-13-5-2-1-3-6-13)16(19)18-11-10-14-7-4-12-20-14/h1-7,12,15H,8-11,17H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 288.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 104983787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).