3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide

C16H20N2OS — CID 62877508

IUPAC3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide
SMILESCC(Cc1ccsc1)NC(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12(9-13-7-8-20-11-13)18-16(19)15(10-17)14-5-3-2-4-6-14/h2-8,11-12,15H,9-10,17H2,1H3,(H,18,19)
InChIKeyRAFIUAPXARGUFT-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.54
Rot. Bonds6

About 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide

3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide (PubChem CID 62877508) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide
PubChem CID62877508
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide
SMILESCC(Cc1ccsc1)NC(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12(9-13-7-8-20-11-13)18-16(19)15(10-17)14-5-3-2-4-6-14/h2-8,11-12,15H,9-10,17H2,1H3,(H,18,19)
InChIKeyRAFIUAPXARGUFT-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755950
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661
3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
CID 65314592

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
The IUPAC name of 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide (CID 62877508) is 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide is CC(Cc1ccsc1)NC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
The InChIKey is RAFIUAPXARGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(9-13-7-8-20-11-13)18-16(19)15(10-17)14-5-3-2-4-6-14/h2-8,11-12,15H,9-10,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide has a molecular weight of 288.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide is sourced from PubChem (CID 62877508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).