2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide

C16H22N2O2S — CID 103709347

IUPAC2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
SMILESCCC(CC)(CNC(=O)COc1ccc(C#N)cc1)SC
InChIInChI=1S/C16H22N2O2S/c1-4-16(5-2,21-3)12-18-15(19)11-20-14-8-6-13(10-17)7-9-14/h6-9H,4-5,11-12H2,1-3H3,(H,18,19)
InChIKeyXULPLAWHARVTNI-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.98
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide

2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide (PubChem CID 103709347) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
PubChem CID103709347
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
SMILESCCC(CC)(CNC(=O)COc1ccc(C#N)cc1)SC
InChIInChI=1S/C16H22N2O2S/c1-4-16(5-2,21-3)12-18-15(19)11-20-14-8-6-13(10-17)7-9-14/h6-9H,4-5,11-12H2,1-3H3,(H,18,19)
InChIKeyXULPLAWHARVTNI-UHFFFAOYSA-N
XLogP2.98
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 115665013
3-[[2-(4-cyanophenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369712
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-[4-(4-cyanophenyl)phenoxy]-N-hexadecylacetamide
CID 3468682
N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
CID 113227551
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
CID 95167799
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
CID 4082940
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
CID 9019849

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide (CID 103709347) is 2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide is CCC(CC)(CNC(=O)COc1ccc(C#N)cc1)SC.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide?
The InChIKey is XULPLAWHARVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-16(5-2,21-3)12-18-15(19)11-20-14-8-6-13(10-17)7-9-14/h6-9H,4-5,11-12H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide?
2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide has a molecular weight of 306.43 g/mol, XLogP of 2.98, 8 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-ethyl-2-methylsulfanylbutyl)acetamide is sourced from PubChem (CID 103709347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).