N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide

C14H21NO3S — CID 112790479

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCSC)c(OC)c1
InChIInChI=1S/C14H21NO3S/c1-15(14(16)7-8-19-4)10-11-5-6-12(17-2)9-13(11)18-3/h5-6,9H,7-8,10H2,1-4H3
InChIKeyILHKTAUJLFTFKN-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.42
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide (PubChem CID 112790479) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
PubChem CID112790479
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCSC)c(OC)c1
InChIInChI=1S/C14H21NO3S/c1-15(14(16)7-8-19-4)10-11-5-6-12(17-2)9-13(11)18-3/h5-6,9H,7-8,10H2,1-4H3
InChIKeyILHKTAUJLFTFKN-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 112790503
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(3-methylsulfanylpropyl)thiourea
CID 7944903
2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 112781383

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide (CID 112790479) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide is COc1ccc(CN(C)C(=O)CCSC)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is ILHKTAUJLFTFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-15(14(16)7-8-19-4)10-11-5-6-12(17-2)9-13(11)18-3/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 283.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 112790479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).