N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide

C18H19F2NO2S — CID 8928675

IUPACN-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide
SMILESCc1cc(C)cc(OCCSCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C18H19F2NO2S/c1-12-8-13(2)10-14(9-12)23-6-7-24-11-17(22)21-18-15(19)4-3-5-16(18)20/h3-5,8-10H,6-7,11H2,1-2H3,(H,21,22)
InChIKeyPZTCQJPONWZFDU-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.33
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide

N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide (PubChem CID 8928675) has the molecular formula C18H19F2NO2S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide
PubChem CID8928675
Molecular FormulaC18H19F2NO2S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide
SMILESCc1cc(C)cc(OCCSCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C18H19F2NO2S/c1-12-8-13(2)10-14(9-12)23-6-7-24-11-17(22)21-18-15(19)4-3-5-16(18)20/h3-5,8-10H,6-7,11H2,1-2H3,(H,21,22)
InChIKeyPZTCQJPONWZFDU-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.33
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

N-(2,6-difluorophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21368263
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8928696
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8928706
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 38957471
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetic acid
CID 43091595
N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301
2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66217561
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8928716
2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66232808
N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide
CID 108953753
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 24574595
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide (CID 8928675) is N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide is Cc1cc(C)cc(OCCSCC(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide?
The InChIKey is PZTCQJPONWZFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2S/c1-12-8-13(2)10-14(9-12)23-6-7-24-11-17(22)21-18-15(19)4-3-5-16(18)20/h3-5,8-10H,6-7,11H2,1-2H3,(H,21,22).
What are the key properties of N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide?
N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide has a molecular weight of 351.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 8928675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).