2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide

C20H19NO2S — CID 112816195

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
SMILESCOc1ccc(SCC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO2S/c1-23-17-9-11-18(12-10-17)24-14-20(22)21-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyGZFIAKJTFASYRU-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.26
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide

2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 112816195) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID112816195
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
SMILESCOc1ccc(SCC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO2S/c1-23-17-9-11-18(12-10-17)24-14-20(22)21-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyGZFIAKJTFASYRU-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9069058
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 43299053
2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32603483
2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 78851945
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 29304367

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide (CID 112816195) is 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide is COc1ccc(SCC(=O)NCc2cccc3ccccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is GZFIAKJTFASYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-23-17-9-11-18(12-10-17)24-14-20(22)21-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide?
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 337.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 112816195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).