2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide

C24H23NO2S — CID 158896086

IUPAC2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1ccccc1C(=O)Cc1cccc(C)c1
InChIInChI=1S/C24H23NO2S/c1-3-28-23-14-7-5-12-20(23)24(27)25-21-13-6-4-11-19(21)22(26)16-18-10-8-9-17(2)15-18/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyDCHXWSTZMAHGCY-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.78
Rot. Bonds7

About 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide

2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide (PubChem CID 158896086) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide
PubChem CID158896086
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1ccccc1C(=O)Cc1cccc(C)c1
InChIInChI=1S/C24H23NO2S/c1-3-28-23-14-7-5-12-20(23)24(27)25-21-13-6-4-11-19(21)22(26)16-18-10-8-9-17(2)15-18/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyDCHXWSTZMAHGCY-UHFFFAOYSA-N
XLogP5.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
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2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide (CID 158896086) is 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide is CCSc1ccccc1C(=O)Nc1ccccc1C(=O)Cc1cccc(C)c1.
What is the InChIKey of 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide?
The InChIKey is DCHXWSTZMAHGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-3-28-23-14-7-5-12-20(23)24(27)25-21-13-6-4-11-19(21)22(26)16-18-10-8-9-17(2)15-18/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide?
2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide is sourced from PubChem (CID 158896086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).