2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride

C17H23ClN2OS — CID 120592916

IUPAC2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C(C)(N)c2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-12(11-15-10-9-13(2)21-15)19-16(20)17(3,18)14-7-5-4-6-8-14;/h4-10,12H,11,18H2,1-3H3,(H,19,20);1H
InChIKeyQJJBDANKMHOLHX-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.40
Rot. Bonds5

About 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride

2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride (PubChem CID 120592916) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
PubChem CID120592916
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC Name2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C(C)(N)c2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-12(11-15-10-9-13(2)21-15)19-16(20)17(3,18)14-7-5-4-6-8-14;/h4-10,12H,11,18H2,1-3H3,(H,19,20);1H
InChIKeyQJJBDANKMHOLHX-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylpropanamide
CID 120589583
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
2-amino-2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 120589300
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785
2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
CID 62489019
2-amino-N-hexan-2-yl-2-phenylpropanamide
CID 62489354
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120592271
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide
CID 64642432
(2R)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 103928081

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride (CID 120592916) is 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride is Cc1ccc(CC(C)NC(=O)C(C)(N)c2ccccc2)s1.Cl.
What is the InChIKey of 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride?
The InChIKey is QJJBDANKMHOLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS.ClH/c1-12(11-15-10-9-13(2)21-15)19-16(20)17(3,18)14-7-5-4-6-8-14;/h4-10,12H,11,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride has a molecular weight of 338.90 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120592916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).