2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide

C22H21NOS — CID 28571076

IUPAC2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C22H21NOS/c1-16-12-13-17(2)18(14-16)15-22(24)23-20-10-6-7-11-21(20)25-19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyZQMSYBWHNLPRCZ-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.64
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide

2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 28571076) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID28571076
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C22H21NOS/c1-16-12-13-17(2)18(14-16)15-22(24)23-20-10-6-7-11-21(20)25-19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyZQMSYBWHNLPRCZ-UHFFFAOYSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440427
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 100781629
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
CID 34219891
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3,5-dimethylbenzoate
CID 7749615
2-(5-methyl-2-phenylsulfanylphenyl)acetic acid
CID 12539105
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide (CID 28571076) is 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide is Cc1ccc(C)c(CC(=O)Nc2ccccc2Sc2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is ZQMSYBWHNLPRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-16-12-13-17(2)18(14-16)15-22(24)23-20-10-6-7-11-21(20)25-19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 347.48 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 28571076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).