N-(3-acetylphenyl)-3-methylsulfanylbenzamide

C16H15NO2S — CID 7266908

IUPACN-(3-acetylphenyl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H15NO2S/c1-11(18)12-5-3-7-14(9-12)17-16(19)13-6-4-8-15(10-13)20-2/h3-10H,1-2H3,(H,17,19)
InChIKeyGAJLFHGAKLYMDN-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.86
Rot. Bonds4

About N-(3-acetylphenyl)-3-methylsulfanylbenzamide

N-(3-acetylphenyl)-3-methylsulfanylbenzamide (PubChem CID 7266908) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-methylsulfanylbenzamide
PubChem CID7266908
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-(3-acetylphenyl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H15NO2S/c1-11(18)12-5-3-7-14(9-12)17-16(19)13-6-4-8-15(10-13)20-2/h3-10H,1-2H3,(H,17,19)
InChIKeyGAJLFHGAKLYMDN-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-methylsulfanylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-3-methylsulfanylbenzamide (CID 7266908) is N-(3-acetylphenyl)-3-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-methylsulfanylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-methylsulfanylbenzamide?
The InChIKey is GAJLFHGAKLYMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11(18)12-5-3-7-14(9-12)17-16(19)13-6-4-8-15(10-13)20-2/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-(3-acetylphenyl)-3-methylsulfanylbenzamide?
N-(3-acetylphenyl)-3-methylsulfanylbenzamide has a molecular weight of 285.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-methylsulfanylbenzamide is sourced from PubChem (CID 7266908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).