N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride

C18H25ClN2OS — CID 119525724

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCC(N)c2ccc(C(C)C)cc2)s1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-12(2)14-5-7-15(8-6-14)17(19)11-20-18(21)10-16-9-4-13(3)22-16;/h4-9,12,17H,10-11,19H2,1-3H3,(H,20,21);1H
InChIKeyKHYNJHPPNMUDGM-UHFFFAOYSA-N
MW352.93 g/mol
LogP3.96
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride (PubChem CID 119525724) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
PubChem CID119525724
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCC(N)c2ccc(C(C)C)cc2)s1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-12(2)14-5-7-15(8-6-14)17(19)11-20-18(21)10-16-9-4-13(3)22-16;/h4-9,12,17H,10-11,19H2,1-3H3,(H,20,21);1H
InChIKeyKHYNJHPPNMUDGM-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide
CID 110921883
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 119525893
N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
CID 119529430
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119526028
N-(2-amino-2-methylpropyl)-2-(5-methylthiophen-2-yl)acetamide
CID 119626700
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 99815527
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pent-4-enamide;dihydrochloride
CID 119526644
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride (CID 119525724) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride is Cc1ccc(CC(=O)NCC(N)c2ccc(C(C)C)cc2)s1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride?
The InChIKey is KHYNJHPPNMUDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS.ClH/c1-12(2)14-5-7-15(8-6-14)17(19)11-20-18(21)10-16-9-4-13(3)22-16;/h4-9,12,17H,10-11,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119525724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).