N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

C20H19NO2S — CID 2995006

IUPACN-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCc1cccc2ccccc12
InChIInChI=1S/C20H19NO2S/c1-23-19-12-5-4-11-18(19)21-20(22)14-24-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyNAHJSSMUAZVFOL-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.72
Rot. Bonds6

About N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (PubChem CID 2995006) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
PubChem CID2995006
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCc1cccc2ccccc12
InChIInChI=1S/C20H19NO2S/c1-23-19-12-5-4-11-18(19)21-20(22)14-24-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyNAHJSSMUAZVFOL-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (CID 2995006) is N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is COc1ccccc1NC(=O)CSCc1cccc2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The InChIKey is NAHJSSMUAZVFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-23-19-12-5-4-11-18(19)21-20(22)14-24-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide has a molecular weight of 337.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 2995006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).