2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide

C15H20N2O2S — CID 115636256

IUPAC2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)N(C)C(=O)COc1ccccc1C#N
InChIInChI=1S/C15H20N2O2S/c1-12(8-9-20-3)17(2)15(18)11-19-14-7-5-4-6-13(14)10-16/h4-7,12H,8-9,11H2,1-3H3
InChIKeySFWAGSRWMTWOFD-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.54
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide

2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide (PubChem CID 115636256) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
PubChem CID115636256
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)N(C)C(=O)COc1ccccc1C#N
InChIInChI=1S/C15H20N2O2S/c1-12(8-9-20-3)17(2)15(18)11-19-14-7-5-4-6-13(14)10-16/h4-7,12H,8-9,11H2,1-3H3
InChIKeySFWAGSRWMTWOFD-UHFFFAOYSA-N
XLogP2.54
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
3-[[2-(2-cyanophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62827727
2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60832205
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
N-[1-(3-chlorophenyl)ethyl]-2-(2-cyanophenoxy)-N-methylacetamide
CID 134053880
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-(2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 43243362
2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959775
[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274874
N-(4-aminophenyl)-2-(2-cyanophenoxy)-N-methylacetamide
CID 43376567
2-(2-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937600
2-(2-ethoxyphenoxy)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704674

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide (CID 115636256) is 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide is CSCCC(C)N(C)C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is SFWAGSRWMTWOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12(8-9-20-3)17(2)15(18)11-19-14-7-5-4-6-13(14)10-16/h4-7,12H,8-9,11H2,1-3H3.
What are the key properties of 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 115636256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).