2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

C22H21NO3S — CID 9009870

IUPAC2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)COc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C22H21NO3S/c1-23(13-16-7-10-18(27-2)11-8-16)22(25)15-26-21-12-9-17-5-3-4-6-19(17)20(21)14-24/h3-12,14H,13,15H2,1-2H3
InChIKeyZEGLLAXQLBDBNQ-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.41
Rot. Bonds7

About 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 9009870) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID9009870
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)COc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C22H21NO3S/c1-23(13-16-7-10-18(27-2)11-8-16)22(25)15-26-21-12-9-17-5-3-4-6-19(17)20(21)14-24/h3-12,14H,13,15H2,1-2H3
InChIKeyZEGLLAXQLBDBNQ-UHFFFAOYSA-N
XLogP4.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 78771599
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide
CID 9453515
2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
CID 28913283
methyl 3-methoxy-4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 8807970
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 9009854
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763182
4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
CID 134036287
[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9289012
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763455
N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide
CID 38899195

Frequently Asked Questions

What is the IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 9009870) is 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CN(C)C(=O)COc2ccc3ccccc3c2C=O)cc1.
What is the InChIKey of 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is ZEGLLAXQLBDBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-23(13-16-7-10-18(27-2)11-8-16)22(25)15-26-21-12-9-17-5-3-4-6-19(17)20(21)14-24/h3-12,14H,13,15H2,1-2H3.
What are the key properties of 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 379.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 9009870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).