2-methyl-N-(2-phenylsulfanylphenyl)benzamide

C20H17NOS — CID 848412

IUPAC2-methyl-N-(2-phenylsulfanylphenyl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H17NOS/c1-15-9-5-6-12-17(15)20(22)21-18-13-7-8-14-19(18)23-16-10-3-2-4-11-16/h2-14H,1H3,(H,21,22)
InChIKeyQMPBMBOJJUYGTF-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.40
Rot. Bonds4

About 2-methyl-N-(2-phenylsulfanylphenyl)benzamide

2-methyl-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 848412) has the molecular formula C20H17NOS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID848412
Molecular FormulaC20H17NOS
Molecular Weight319.43 g/mol
Exact Mass319.10
IUPAC Name2-methyl-N-(2-phenylsulfanylphenyl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H17NOS/c1-15-9-5-6-12-17(15)20(22)21-18-13-7-8-14-19(18)23-16-10-3-2-4-11-16/h2-14H,1H3,(H,21,22)
InChIKeyQMPBMBOJJUYGTF-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 2-methyl-N-(2-phenylsulfanylphenyl)benzamide (CID 848412) is 2-methyl-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 2-methyl-N-(2-phenylsulfanylphenyl)benzamide is Cc1ccccc1C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is QMPBMBOJJUYGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS/c1-15-9-5-6-12-17(15)20(22)21-18-13-7-8-14-19(18)23-16-10-3-2-4-11-16/h2-14H,1H3,(H,21,22).
What are the key properties of 2-methyl-N-(2-phenylsulfanylphenyl)benzamide?
2-methyl-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 319.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 848412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).