2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride

C19H25ClN2O2S — CID 120590856

IUPAC2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)C(C)(N)c2ccccc2)ccc1SC.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-19(20,15-8-6-5-7-9-15)18(22)21(2)13-14-10-11-17(24-4)16(12-14)23-3;/h5-12H,13,20H2,1-4H3;1H
InChIKeyLLOIQKLTDQSIDA-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.67
Rot. Bonds6

About 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride

2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride (PubChem CID 120590856) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
PubChem CID120590856
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)C(C)(N)c2ccccc2)ccc1SC.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-19(20,15-8-6-5-7-9-15)18(22)21(2)13-14-10-11-17(24-4)16(12-14)23-3;/h5-12H,13,20H2,1-4H3;1H
InChIKeyLLOIQKLTDQSIDA-UHFFFAOYSA-N
XLogP3.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119309860
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 120586900
3-[[(3-methoxy-4-methylsulfanylphenyl)methyl-methylamino]methyl]benzoic acid
CID 122028876
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668040
2-amino-N-methyl-2-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120594434
2-(cyclopropylmethylamino)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119759990
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610
4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide
CID 60605651
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 79814208
(2R)-2-amino-N-benzyl-N-methyl-2-naphthalen-2-ylpropanamide
CID 22880268
3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 119759977

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride (CID 120590856) is 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride is COc1cc(CN(C)C(=O)C(C)(N)c2ccccc2)ccc1SC.Cl.
What is the InChIKey of 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride?
The InChIKey is LLOIQKLTDQSIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c1-19(20,15-8-6-5-7-9-15)18(22)21(2)13-14-10-11-17(24-4)16(12-14)23-3;/h5-12H,13,20H2,1-4H3;1H.
What are the key properties of 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride?
2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120590856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).