N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide

C21H21NO2S — CID 112769045

IUPACN-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
SMILESCOc1cccc(CNC(=O)CSCc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H21NO2S/c1-24-20-8-4-5-16(12-20)13-22-21(23)15-25-14-17-9-10-18-6-2-3-7-19(18)11-17/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyHEHXTFADRSMGKK-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.40
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide

N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide (PubChem CID 112769045) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
PubChem CID112769045
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
SMILESCOc1cccc(CNC(=O)CSCc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H21NO2S/c1-24-20-8-4-5-16(12-20)13-22-21(23)15-25-14-17-9-10-18-6-2-3-7-19(18)11-17/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyHEHXTFADRSMGKK-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-[(3-cyanophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8964627
2-(3-hydroxypropylsulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 66129150
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 8970382
2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 66225874
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide (CID 112769045) is N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide is COc1cccc(CNC(=O)CSCc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The InChIKey is HEHXTFADRSMGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-24-20-8-4-5-16(12-20)13-22-21(23)15-25-14-17-9-10-18-6-2-3-7-19(18)11-17/h2-12H,13-15H2,1H3,(H,22,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide has a molecular weight of 351.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 112769045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).