2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

C22H27Cl2NO2S — CID 133186173

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1C(C)C
InChIInChI=1S/C22H27Cl2NO2S/c1-13(2)16-10-17(14(3)9-21(16)27-5)15(4)25-22(26)12-28-11-18-19(23)7-6-8-20(18)24/h6-10,13,15H,11-12H2,1-5H3,(H,25,26)
InChIKeyZUYRKOSBCIDKDC-UHFFFAOYSA-N
MW440.44 g/mol
LogP6.54
Rot. Bonds8

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 133186173) has the molecular formula C22H27Cl2NO2S and a molecular weight of 440.44 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
PubChem CID133186173
Molecular FormulaC22H27Cl2NO2S
Molecular Weight440.44 g/mol
Exact Mass439.11
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1C(C)C
InChIInChI=1S/C22H27Cl2NO2S/c1-13(2)16-10-17(14(3)9-21(16)27-5)15(4)25-22(26)12-28-11-18-19(23)7-6-8-20(18)24/h6-10,13,15H,11-12H2,1-5H3,(H,25,26)
InChIKeyZUYRKOSBCIDKDC-UHFFFAOYSA-N
XLogP6.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.44
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide with MolForge

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Related Compounds

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 133217488
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28567054
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92646579
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202334
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28632916
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133220345
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132660242
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 133186578
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
2-[(2-chlorophenyl)methylsulfanyl]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 132652858
2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217376
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133186266

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (CID 133186173) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is COc1cc(C)c(C(C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1C(C)C.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is ZUYRKOSBCIDKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO2S/c1-13(2)16-10-17(14(3)9-21(16)27-5)15(4)25-22(26)12-28-11-18-19(23)7-6-8-20(18)24/h6-10,13,15H,11-12H2,1-5H3,(H,25,26).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 440.44 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 133186173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).