2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide

C22H21NO2S — CID 1121779

IUPAC2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Sc3ccccc3)cc2)cc1C
InChIInChI=1S/C22H21NO2S/c1-16-8-11-19(14-17(16)2)25-15-22(24)23-18-9-12-21(13-10-18)26-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyRSKNRSIOVLBOOH-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.47
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide

2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide (PubChem CID 1121779) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
PubChem CID1121779
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Sc3ccccc3)cc2)cc1C
InChIInChI=1S/C22H21NO2S/c1-16-8-11-19(14-17(16)2)25-15-22(24)23-18-9-12-21(13-10-18)26-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyRSKNRSIOVLBOOH-UHFFFAOYSA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 7925162
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide
CID 17488047
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887543
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
N-(4-butan-2-yloxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 17160586

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide (CID 1121779) is 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Sc3ccccc3)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide?
The InChIKey is RSKNRSIOVLBOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-8-11-19(14-17(16)2)25-15-22(24)23-18-9-12-21(13-10-18)26-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide?
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide has a molecular weight of 363.48 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 1121779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).