3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide

C15H18N2OS — CID 81408213

IUPAC3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)CC(N)c1ccccc1)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-11(14-8-5-9-19-14)17-15(18)10-13(16)12-6-3-2-4-7-12/h2-9,11,13H,10,16H2,1H3,(H,17,18)/t11-,13?/m0/s1
InChIKeyCRHCNUFSDTWGJL-AMGKYWFPSA-N
MW274.39 g/mol
LogP3.02
Rot. Bonds5

About 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide

3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide (PubChem CID 81408213) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
PubChem CID81408213
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)CC(N)c1ccccc1)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-11(14-8-5-9-19-14)17-15(18)10-13(16)12-6-3-2-4-7-12/h2-9,11,13H,10,16H2,1H3,(H,17,18)/t11-,13?/m0/s1
InChIKeyCRHCNUFSDTWGJL-AMGKYWFPSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81375536
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide (CID 81408213) is 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide is C[C@H](NC(=O)CC(N)c1ccccc1)c1cccs1.
What is the InChIKey of 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The InChIKey is CRHCNUFSDTWGJL-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(14-8-5-9-19-14)17-15(18)10-13(16)12-6-3-2-4-7-12/h2-9,11,13H,10,16H2,1H3,(H,17,18)/t11-,13?/m0/s1.
What are the key properties of 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide has a molecular weight of 274.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 81408213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).