N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide

C18H21NO2S — CID 26446526

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
SMILESCc1ccc(OCCNC(=O)CSc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO2S/c1-14-8-9-17(15(2)12-14)21-11-10-19-18(20)13-22-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyFTQOCQQNTXWRIT-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide

N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide (PubChem CID 26446526) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
PubChem CID26446526
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
SMILESCc1ccc(OCCNC(=O)CSc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO2S/c1-14-8-9-17(15(2)12-14)21-11-10-19-18(20)13-22-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyFTQOCQQNTXWRIT-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.59
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-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 18282697
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9199610
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621
2-(3,4-dimethylphenyl)sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 46810946
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8681499
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 8580736

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide (CID 26446526) is N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide is Cc1ccc(OCCNC(=O)CSc2ccccc2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide?
The InChIKey is FTQOCQQNTXWRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-8-9-17(15(2)12-14)21-11-10-19-18(20)13-22-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 26446526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).