N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide

C19H23NO4S — CID 7893707

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(SC)cc2)cc1OC
InChIInChI=1S/C19H23NO4S/c1-22-17-9-4-14(12-18(17)23-2)10-11-20-19(21)13-24-15-5-7-16(25-3)8-6-15/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyXVPYDJUQSVAELG-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.16
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide (PubChem CID 7893707) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide
PubChem CID7893707
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(SC)cc2)cc1OC
InChIInChI=1S/C19H23NO4S/c1-22-17-9-4-14(12-18(17)23-2)10-11-20-19(21)13-24-15-5-7-16(25-3)8-6-15/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyXVPYDJUQSVAELG-UHFFFAOYSA-N
XLogP3.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)phenoxy]acetamide
CID 71745859
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
2-(4-chloro-3-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18074796
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide
CID 34578953
2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
2-dibenzofuran-2-yloxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9245894
N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 63648820

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide (CID 7893707) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide is COc1ccc(CCNC(=O)COc2ccc(SC)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide?
The InChIKey is XVPYDJUQSVAELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-22-17-9-4-14(12-18(17)23-2)10-11-20-19(21)13-24-15-5-7-16(25-3)8-6-15/h4-9,12H,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide has a molecular weight of 361.46 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 7893707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).