3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide

C17H20N2OS — CID 80546722

IUPAC3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
SMILESCSc1ccccc1NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-12(16(18)13-8-4-3-5-9-13)17(20)19-14-10-6-7-11-15(14)21-2/h3-12,16H,18H2,1-2H3,(H,19,20)
InChIKeyKAUYNXWUIAEPLY-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.68
Rot. Bonds5

About 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide

3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide (PubChem CID 80546722) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
PubChem CID80546722
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
SMILESCSc1ccccc1NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-12(16(18)13-8-4-3-5-9-13)17(20)19-14-10-6-7-11-15(14)21-2/h3-12,16H,18H2,1-2H3,(H,19,20)
InChIKeyKAUYNXWUIAEPLY-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
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3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
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2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085
3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
CID 82747385
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
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2-amino-2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)acetamide
CID 106312111
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
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3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide (CID 80546722) is 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide is CSc1ccccc1NC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide?
The InChIKey is KAUYNXWUIAEPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(16(18)13-8-4-3-5-9-13)17(20)19-14-10-6-7-11-15(14)21-2/h3-12,16H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide?
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide has a molecular weight of 300.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 80546722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).