N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide

C16H25NO2S — CID 21367691

IUPACN-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCSC(C)(C)C)c1
InChIInChI=1S/C16H25NO2S/c1-12-8-13(2)10-14(9-12)19-11-15(18)17-6-7-20-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyUADRJKZKCBCDOB-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.33
Rot. Bonds6

About N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide

N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 21367691) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID21367691
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCSC(C)(C)C)c1
InChIInChI=1S/C16H25NO2S/c1-12-8-13(2)10-14(9-12)19-11-15(18)17-6-7-20-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyUADRJKZKCBCDOB-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 21367716
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628333
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002345
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8757095
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
CID 103770426
2-(3,5-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
CID 27336180

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide (CID 21367691) is N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)NCCSC(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is UADRJKZKCBCDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12-8-13(2)10-14(9-12)19-11-15(18)17-6-7-20-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,17,18).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide?
N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 295.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 21367691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).