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

C16H20N2OS — CID 93267307

IUPAC(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
SMILESC[C@H](Cc1cccs1)NC(=O)C[C@@H](N)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12(10-14-8-5-9-20-14)18-16(19)11-15(17)13-6-3-2-4-7-13/h2-9,12,15H,10-11,17H2,1H3,(H,18,19)/t12-,15-/m1/s1
InChIKeyWBUJCBOUJCGIRH-IUODEOHRSA-N
MW288.42 g/mol
LogP2.89
Rot. Bonds6

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

(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide (PubChem CID 93267307) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
PubChem CID93267307
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
SMILESC[C@H](Cc1cccs1)NC(=O)C[C@@H](N)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12(10-14-8-5-9-20-14)18-16(19)11-15(17)13-6-3-2-4-7-13/h2-9,12,15H,10-11,17H2,1H3,(H,18,19)/t12-,15-/m1/s1
InChIKeyWBUJCBOUJCGIRH-IUODEOHRSA-N
XLogP2.89
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 ≤ 52.89
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
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408213
3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722719
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 112820242
3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119954224
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide?
The IUPAC name of (3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide (CID 93267307) is (3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide.
What is the SMILES notation for (3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide?
The canonical SMILES for (3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide is C[C@H](Cc1cccs1)NC(=O)C[C@@H](N)c1ccccc1.
What is the InChIKey of (3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide?
The InChIKey is WBUJCBOUJCGIRH-IUODEOHRSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(10-14-8-5-9-20-14)18-16(19)11-15(17)13-6-3-2-4-7-13/h2-9,12,15H,10-11,17H2,1H3,(H,18,19)/t12-,15-/m1/s1.
What are the key properties of (3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide?
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide has a molecular weight of 288.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide is sourced from PubChem (CID 93267307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).