2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C13H17Cl2NO3S — CID 71787203

IUPAC2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-13(18,8-20-2)7-16-12(17)6-19-11-4-3-9(14)5-10(11)15/h3-5,18H,6-8H2,1-2H3,(H,16,17)
InChIKeyUJEJANOOGGJPNP-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.60
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 71787203) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID71787203
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-13(18,8-20-2)7-16-12(17)6-19-11-4-3-9(14)5-10(11)15/h3-5,18H,6-8H2,1-2H3,(H,16,17)
InChIKeyUJEJANOOGGJPNP-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 71787203) is 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)(O)CNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is UJEJANOOGGJPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-13(18,8-20-2)7-16-12(17)6-19-11-4-3-9(14)5-10(11)15/h3-5,18H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 338.26 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 71787203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).