2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

C18H21NO3S — CID 78771599

IUPAC2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCOc1ccccc1OCC(=O)N(C)Cc1ccc(SC)cc1
InChIInChI=1S/C18H21NO3S/c1-19(12-14-8-10-15(23-3)11-9-14)18(20)13-22-17-7-5-4-6-16(17)21-2/h4-11H,12-13H2,1-3H3
InChIKeyFEKNZEMDYCXIPA-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.45
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 78771599) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID78771599
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCOc1ccccc1OCC(=O)N(C)Cc1ccc(SC)cc1
InChIInChI=1S/C18H21NO3S/c1-19(12-14-8-10-15(23-3)11-9-14)18(20)13-22-17-7-5-4-6-16(17)21-2/h4-11H,12-13H2,1-3H3
InChIKeyFEKNZEMDYCXIPA-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 8807970
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide
CID 9453515
[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9289012
2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 9009870
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631
[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 9200721
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 78792249
3,4,5-trimethoxy-N-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 27788045
[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 9343215
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7768987

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 78771599) is 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is COc1ccccc1OCC(=O)N(C)Cc1ccc(SC)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is FEKNZEMDYCXIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-19(12-14-8-10-15(23-3)11-9-14)18(20)13-22-17-7-5-4-6-16(17)21-2/h4-11H,12-13H2,1-3H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 78771599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).