2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide

C17H19NO3S — CID 46493576

IUPAC2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide
SMILESCOc1cccc(COCC(=O)Nc2ccc(SC)cc2)c1
InChIInChI=1S/C17H19NO3S/c1-20-15-5-3-4-13(10-15)11-21-12-17(19)18-14-6-8-16(22-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyUOIHUTUSXQBMBR-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.57
Rot. Bonds7

About 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide

2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 46493576) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide
PubChem CID46493576
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide
SMILESCOc1cccc(COCC(=O)Nc2ccc(SC)cc2)c1
InChIInChI=1S/C17H19NO3S/c1-20-15-5-3-4-13(10-15)11-21-12-17(19)18-14-6-8-16(22-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyUOIHUTUSXQBMBR-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24708109
N-(3-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24701706
N-[3-(aminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]acetamide
CID 43823143
N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide
CID 46485144
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
CID 97234234
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 46472029
3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46471065
3,4-dimethoxy-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46489323

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide (CID 46493576) is 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide is COc1cccc(COCC(=O)Nc2ccc(SC)cc2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is UOIHUTUSXQBMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-15-5-3-4-13(10-15)11-21-12-17(19)18-14-6-8-16(22-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide?
2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 46493576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).