N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide

C16H17NO2S — CID 1265563

IUPACN-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C16H17NO2S/c1-19-13-9-7-12(8-10-13)11-17-16(18)14-5-3-4-6-15(14)20-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyNXHBQWGUMKSKFQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.35
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide

N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide (PubChem CID 1265563) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide
PubChem CID1265563
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C16H17NO2S/c1-19-13-9-7-12(8-10-13)11-17-16(18)14-5-3-4-6-15(14)20-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyNXHBQWGUMKSKFQ-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide (CID 1265563) is N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide is COc1ccc(CNC(=O)c2ccccc2SC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is NXHBQWGUMKSKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-13-9-7-12(8-10-13)11-17-16(18)14-5-3-4-6-15(14)20-2/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide?
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 287.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 1265563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).