2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide

C14H18N2O2S — CID 63959775

IUPAC2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)CNC(=O)COc1ccccc1C#N
InChIInChI=1S/C14H18N2O2S/c1-11(10-19-2)8-16-14(17)9-18-13-6-4-3-5-12(13)7-15/h3-6,11H,8-10H2,1-2H3,(H,16,17)
InChIKeyHBADUFNPPMRHKV-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.05
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide

2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 63959775) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID63959775
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)CNC(=O)COc1ccccc1C#N
InChIInChI=1S/C14H18N2O2S/c1-11(10-19-2)8-16-14(17)9-18-13-6-4-3-5-12(13)7-15/h3-6,11H,8-10H2,1-2H3,(H,16,17)
InChIKeyHBADUFNPPMRHKV-UHFFFAOYSA-N
XLogP2.05
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
CID 48685478
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide
CID 115764495
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]acetamide
CID 30901944
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide
CID 86858145
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
(2S,3R)-2-[[2-(2-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104965105

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide (CID 63959775) is 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)CNC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is HBADUFNPPMRHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11(10-19-2)8-16-14(17)9-18-13-6-4-3-5-12(13)7-15/h3-6,11H,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 63959775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).