2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide

C18H21NO2S — CID 7731594

IUPAC2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-3-7-16(8-4-14)19-18(20)13-22-12-11-21-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyITXPPJXNVPZQEZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.05
Rot. Bonds7

About 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide

2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 7731594) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID7731594
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-3-7-16(8-4-14)19-18(20)13-22-12-11-21-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyITXPPJXNVPZQEZ-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597
methyl 4-[[2-[2-(4-methylphenoxy)ethylsulfanyl]acetyl]amino]benzoate
CID 31543376
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
CID 40545696
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360
N-(3-methylbutan-2-yl)-2-[2-(4-methylphenoxy)ethylsulfanyl]acetamide
CID 134016910
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
CID 49313212
4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 31543343
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 82181056
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8928716
N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide
CID 55535269
ethyl 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylacetate
CID 650071

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide (CID 7731594) is 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is ITXPPJXNVPZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-3-7-16(8-4-14)19-18(20)13-22-12-11-21-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide?
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7731594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).