N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

C19H23NO3S — CID 31089301

IUPACN-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C19H23NO3S/c1-14-5-4-6-15(2)19(14)20-18(21)13-24-12-11-23-17-9-7-16(22-3)8-10-17/h4-10H,11-13H2,1-3H3,(H,20,21)
InChIKeyXYWBHHIPUYYOSJ-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.06
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide (PubChem CID 31089301) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
PubChem CID31089301
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C19H23NO3S/c1-14-5-4-6-15(2)19(14)20-18(21)13-24-12-11-23-17-9-7-16(22-3)8-10-17/h4-10H,11-13H2,1-3H3,(H,20,21)
InChIKeyXYWBHHIPUYYOSJ-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 38957471
N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089378
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 49312794
N-(2,6-dimethylphenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 26904107
N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572032
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31543702
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
CID 49313212
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113122386

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide (CID 31089301) is N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide is COc1ccc(OCCSCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The InChIKey is XYWBHHIPUYYOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-5-4-6-15(2)19(14)20-18(21)13-24-12-11-23-17-9-7-16(22-3)8-10-17/h4-10H,11-13H2,1-3H3,(H,20,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 31089301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).