3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide

C18H22N2OS — CID 119769536

IUPAC3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
SMILESCSCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-13(17(19)15-6-4-3-5-7-15)18(21)20-16-10-8-14(9-11-16)12-22-2/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)
InChIKeyLQCHPFKGJHSCGY-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.82
Rot. Bonds6

About 3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide

3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide (PubChem CID 119769536) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
PubChem CID119769536
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
SMILESCSCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-13(17(19)15-6-4-3-5-7-15)18(21)20-16-10-8-14(9-11-16)12-22-2/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)
InChIKeyLQCHPFKGJHSCGY-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119719016
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986022
3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119868250
3-amino-2-methyl-3-phenyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]propanamide;dihydrochloride
CID 119869844
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride
CID 119769549
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
CID 107701634
3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119844935

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide (CID 119769536) is 3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide is CSCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide?
The InChIKey is LQCHPFKGJHSCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13(17(19)15-6-4-3-5-7-15)18(21)20-16-10-8-14(9-11-16)12-22-2/h3-11,13,17H,12,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide has a molecular weight of 314.45 g/mol, XLogP of 3.82, 6 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-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119769536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).