2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide

C14H18N2O2S — CID 115665013

IUPAC2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
SMILESCSC(C)(C)CNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2S/c1-14(2,19-3)10-16-13(17)9-18-12-6-4-11(8-15)5-7-12/h4-7H,9-10H2,1-3H3,(H,16,17)
InChIKeyFSEDBTMTKZSFCC-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.19
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide

2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide (PubChem CID 115665013) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
PubChem CID115665013
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
SMILESCSC(C)(C)CNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2S/c1-14(2,19-3)10-16-13(17)9-18-12-6-4-11(8-15)5-7-12/h4-7H,9-10H2,1-3H3,(H,16,17)
InChIKeyFSEDBTMTKZSFCC-UHFFFAOYSA-N
XLogP2.19
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
CID 103709347
3-[[2-(4-cyanophenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369712
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
CID 9019849
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
CID 113227551
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
2-(4-cyanophenoxy)-N-(1,1-diphenylethyl)acetamide
CID 56522927
2-[2-[[2-(4-cyanophenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242589
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
2-(4-cyanophenoxy)-N-(2-sulfamoylethyl)acetamide
CID 43552443

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide (CID 115665013) is 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide is CSC(C)(C)CNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
The InChIKey is FSEDBTMTKZSFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2,19-3)10-16-13(17)9-18-12-6-4-11(8-15)5-7-12/h4-7H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 115665013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).