2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

C20H24ClNO2S — CID 24574595

IUPAC2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSCCCOc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C20H24ClNO2S/c1-14-11-15(2)20(16(3)12-14)22-19(23)13-25-10-4-9-24-18-7-5-17(21)6-8-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,22,23)
InChIKeyYQIQMPAFIAHLQW-UHFFFAOYSA-N
MW377.94 g/mol
LogP5.41
Rot. Bonds8

About 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 24574595) has the molecular formula C20H24ClNO2S and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID24574595
Molecular FormulaC20H24ClNO2S
Molecular Weight377.94 g/mol
Exact Mass377.12
IUPAC Name2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSCCCOc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C20H24ClNO2S/c1-14-11-15(2)20(16(3)12-14)22-19(23)13-25-10-4-9-24-18-7-5-17(21)6-8-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,22,23)
InChIKeyYQIQMPAFIAHLQW-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.94
LogP ≤ 55.41
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-chlorophenoxy)ethylsulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 38957471
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 24574607
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7731773
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
2-[3-(4-chlorophenoxy)propylsulfanyl]acetic acid
CID 43242208
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
CID 40545696
4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 7790413
N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301
N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide
CID 8928675
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 38958373
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 24574595) is 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSCCCOc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YQIQMPAFIAHLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2S/c1-14-11-15(2)20(16(3)12-14)22-19(23)13-25-10-4-9-24-18-7-5-17(21)6-8-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,22,23).
What are the key properties of 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 377.94 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 24574595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).