2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide

C19H23NO2S — CID 7731597

IUPAC2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-4-8-17(9-5-15)20-19(21)14-23-13-3-12-22-18-10-6-16(2)7-11-18/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyPKZQKPVKCLHVHW-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.44
Rot. Bonds8

About 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide

2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 7731597) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID7731597
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-4-8-17(9-5-15)20-19(21)14-23-13-3-12-22-18-10-6-16(2)7-11-18/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyPKZQKPVKCLHVHW-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.44
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-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
CID 40545696
methyl 4-[[2-[2-(4-methylphenoxy)ethylsulfanyl]acetyl]amino]benzoate
CID 31543376
N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide
CID 7731614
ethyl 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylacetate
CID 650071
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 24574595
N-(3-methylbutan-2-yl)-2-[2-(4-methylphenoxy)ethylsulfanyl]acetamide
CID 134016910
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
tert-butyl N-[2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84553731
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 82180185

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide (CID 7731597) is 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is PKZQKPVKCLHVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-4-8-17(9-5-15)20-19(21)14-23-13-3-12-22-18-10-6-16(2)7-11-18/h4-11H,3,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide?
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7731597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).