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

C16H21ClN2OS — CID 119722711

IUPAC3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
SMILESCC(Cc1cccs1)NC(=O)C(CN)c1ccccc1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-12(10-14-8-5-9-20-14)18-16(19)15(11-17)13-6-3-2-4-7-13;/h2-9,12,15H,10-11,17H2,1H3,(H,18,19);1H
InChIKeyRCIPIYAHCMCSJJ-UHFFFAOYSA-N
MW324.88 g/mol
LogP2.96
Rot. Bonds6

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

3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride (PubChem CID 119722711) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
PubChem CID119722711
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
SMILESCC(Cc1cccs1)NC(=O)C(CN)c1ccccc1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-12(10-14-8-5-9-20-14)18-16(19)15(11-17)13-6-3-2-4-7-13;/h2-9,12,15H,10-11,17H2,1H3,(H,18,19);1H
InChIKeyRCIPIYAHCMCSJJ-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722719
3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 62877508
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
CID 110306927
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235
1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 112820242
1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 78880248
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
CID 62878139

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride (CID 119722711) is 3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride is CC(Cc1cccs1)NC(=O)C(CN)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride?
The InChIKey is RCIPIYAHCMCSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c1-12(10-14-8-5-9-20-14)18-16(19)15(11-17)13-6-3-2-4-7-13;/h2-9,12,15H,10-11,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride?
3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 2.96, 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-2-ylpropan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119722711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).