N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide

C23H23NO3S — CID 7925162

IUPACN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C23H23NO3S/c1-16-4-11-22(14-17(16)2)28-21-12-5-18(6-13-21)24-23(25)15-27-20-9-7-19(26-3)8-10-20/h4-14H,15H2,1-3H3,(H,24,25)
InChIKeyGJHNYQBNKJBEQA-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.48
Rot. Bonds7

About N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide

N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 7925162) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID7925162
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C23H23NO3S/c1-16-4-11-22(14-17(16)2)28-21-12-5-18(6-13-21)24-23(25)15-27-20-9-7-19(26-3)8-10-20/h4-14H,15H2,1-3H3,(H,24,25)
InChIKeyGJHNYQBNKJBEQA-UHFFFAOYSA-N
XLogP5.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide
CID 17488047
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-methoxyacetate
CID 8018940
[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] propanoate
CID 7851395
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7925136
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide (CID 7925162) is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is GJHNYQBNKJBEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-16-4-11-22(14-17(16)2)28-21-12-5-18(6-13-21)24-23(25)15-27-20-9-7-19(26-3)8-10-20/h4-14H,15H2,1-3H3,(H,24,25).
What are the key properties of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide?
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 393.51 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 7925162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).