2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide

C19H24N2O2S — CID 120668040

IUPAC2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
SMILESCOc1cc(CN(C)C(=O)C(N)c2ccc(C)cc2)ccc1SC
InChIInChI=1S/C19H24N2O2S/c1-13-5-8-15(9-6-13)18(20)19(22)21(2)12-14-7-10-17(24-4)16(11-14)23-3/h5-11,18H,12,20H2,1-4H3
InChIKeyMMYCJVMBVZZMAR-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.38
Rot. Bonds6

About 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide

2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide (PubChem CID 120668040) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
PubChem CID120668040
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
SMILESCOc1cc(CN(C)C(=O)C(N)c2ccc(C)cc2)ccc1SC
InChIInChI=1S/C19H24N2O2S/c1-13-5-8-15(9-6-13)18(20)19(22)21(2)12-14-7-10-17(24-4)16(11-14)23-3/h5-11,18H,12,20H2,1-4H3
InChIKeyMMYCJVMBVZZMAR-UHFFFAOYSA-N
XLogP3.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.38
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-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668150
(2S)-2-(4-bromophenoxy)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpropanamide
CID 52513292
2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120590856
4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide
CID 60605651
ethyl 2-(3-methoxy-4-methylsulfanylphenyl)acetate
CID 91881387
2-amino-N-methyl-2-(4-methylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120667234
2-(cyclopropylmethylamino)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119759990
3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 119759977
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760008
(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 61163105

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide (CID 120668040) is 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide is COc1cc(CN(C)C(=O)C(N)c2ccc(C)cc2)ccc1SC.
What is the InChIKey of 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide?
The InChIKey is MMYCJVMBVZZMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-5-8-15(9-6-13)18(20)19(22)21(2)12-14-7-10-17(24-4)16(11-14)23-3/h5-11,18H,12,20H2,1-4H3.
What are the key properties of 2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide?
2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.38, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 120668040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).