2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide

C17H25NO4S — CID 75399586

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
SMILESCCC(CSC)N(C)C(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C17H25NO4S/c1-6-14(11-23-5)18(3)17(20)10-22-15-8-7-13(12(2)19)9-16(15)21-4/h7-9,14H,6,10-11H2,1-5H3
InChIKeyJXZRESXWPOMJSK-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.88
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide (PubChem CID 75399586) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
PubChem CID75399586
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
SMILESCCC(CSC)N(C)C(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C17H25NO4S/c1-6-14(11-23-5)18(3)17(20)10-22-15-8-7-13(12(2)19)9-16(15)21-4/h7-9,14H,6,10-11H2,1-5H3
InChIKeyJXZRESXWPOMJSK-UHFFFAOYSA-N
XLogP2.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide
CID 97109049
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 8808299
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylacetamide
CID 55612142
2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 26731799
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
CID 22015651
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63364493
2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
CID 134006092
2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8808283
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 18093332
1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide (CID 75399586) is 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide is CCC(CSC)N(C)C(=O)COc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is JXZRESXWPOMJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-6-14(11-23-5)18(3)17(20)10-22-15-8-7-13(12(2)19)9-16(15)21-4/h7-9,14H,6,10-11H2,1-5H3.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 2.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 75399586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).