3-methoxy-N-(3-methylsulfanylphenyl)benzamide

C15H15NO2S — CID 836483

IUPAC3-methoxy-N-(3-methylsulfanylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC)c2)c1
InChIInChI=1S/C15H15NO2S/c1-18-13-7-3-5-11(9-13)15(17)16-12-6-4-8-14(10-12)19-2/h3-10H,1-2H3,(H,16,17)
InChIKeyAKZQNZISVBWBTF-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.67
Rot. Bonds4

About 3-methoxy-N-(3-methylsulfanylphenyl)benzamide

3-methoxy-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 836483) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-methoxy-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methylsulfanylphenyl)benzamide
PubChem CID836483
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name3-methoxy-N-(3-methylsulfanylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC)c2)c1
InChIInChI=1S/C15H15NO2S/c1-18-13-7-3-5-11(9-13)15(17)16-12-6-4-8-14(10-12)19-2/h3-10H,1-2H3,(H,16,17)
InChIKeyAKZQNZISVBWBTF-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
N-(2-fluorophenyl)-3-methoxybenzamide
CID 532855
N-(2-methoxyphenyl)-2-(methylthio)benzamide
CID 313103
3-methoxy-N-(4-methylphenyl)benzamide
CID 827641
3-methoxy-N-phenylbenzamide
CID 835330
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
CID 8796093
2-Chloro-N-(4-methoxyphenyl)-5-(methylthio)benzamide
CID 847891
3-fluoro-N-(4-methoxyphenyl)benzamide
CID 532009
3-(2-methoxyphenyl)-4-{[4-(methylsulfanyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539505
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-methoxy-N-(3-methylsulfanylphenyl)benzamide (CID 836483) is 3-methoxy-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-methoxy-N-(3-methylsulfanylphenyl)benzamide is COc1cccc(C(=O)Nc2cccc(SC)c2)c1.
What is the InChIKey of 3-methoxy-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is AKZQNZISVBWBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-13-7-3-5-11(9-13)15(17)16-12-6-4-8-14(10-12)19-2/h3-10H,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-N-(3-methylsulfanylphenyl)benzamide?
3-methoxy-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 273.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 836483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).