2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C20H24N2O3S — CID 7780054

IUPAC2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2O3S/c1-14-9-15(2)11-16(10-14)25-13-20(24)22(3)12-19(23)21-17-7-5-6-8-18(17)26-4/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyIUWPJIGNMCLWSU-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.50
Rot. Bonds7

About 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 7780054) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID7780054
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2O3S/c1-14-9-15(2)11-16(10-14)25-13-20(24)22(3)12-19(23)21-17-7-5-6-8-18(17)26-4/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyIUWPJIGNMCLWSU-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 2574524
N-methyl-4-(3-methylphenoxy)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]butanamide
CID 40689264
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
CID 38764417
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780066
2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 8814616
3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416961
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505
(3S)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-phenylbutanamide
CID 38762946
2-(3-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 38763351

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 7780054) is 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)C(=O)COc1cc(C)cc(C)c1.
What is the InChIKey of 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is IUWPJIGNMCLWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-9-15(2)11-16(10-14)25-13-20(24)22(3)12-19(23)21-17-7-5-6-8-18(17)26-4/h5-11H,12-13H2,1-4H3,(H,21,23).
What are the key properties of 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 7780054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).