2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide

C13H16N2O2S — CID 115636054

IUPAC2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-10(9-18-2)15-13(16)8-17-12-6-4-3-5-11(12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16)
InChIKeyPLDNHGJICMTPDT-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.80
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide

2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide (PubChem CID 115636054) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
PubChem CID115636054
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-10(9-18-2)15-13(16)8-17-12-6-4-3-5-11(12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16)
InChIKeyPLDNHGJICMTPDT-UHFFFAOYSA-N
XLogP1.80
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(2-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937600
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959775
2-(2-cyanophenoxy)-N-(1-ethoxypropan-2-yl)acetamide
CID 47903365
(2S,3R)-2-[[2-(2-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104965105
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 24698326
2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
CID 48685478
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide (CID 115636054) is 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide is CSCC(C)NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide?
The InChIKey is PLDNHGJICMTPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10(9-18-2)15-13(16)8-17-12-6-4-3-5-11(12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide?
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 115636054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).