N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide

C16H17NOS — CID 2223490

IUPACN-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccccc1C
InChIInChI=1S/C16H17NOS/c1-12-7-3-4-8-13(12)11-17-16(18)14-9-5-6-10-15(14)19-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyVGYPKWOTGLVTCY-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.65
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide

N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide (PubChem CID 2223490) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide
PubChem CID2223490
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccccc1C
InChIInChI=1S/C16H17NOS/c1-12-7-3-4-8-13(12)11-17-16(18)14-9-5-6-10-15(14)19-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyVGYPKWOTGLVTCY-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide (CID 2223490) is N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is VGYPKWOTGLVTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12-7-3-4-8-13(12)11-17-16(18)14-9-5-6-10-15(14)19-2/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide?
N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 271.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 2223490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).