2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide

C18H19Cl2NO3S — CID 86971477

IUPAC2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2NO3S/c1-4-25(23,24)14-7-5-6-13(11-14)21-17(22)18(2,3)12-8-9-15(19)16(20)10-12/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyUHNJSVFLJXBAKX-UHFFFAOYSA-N
MW400.33 g/mol
LogP4.70
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide

2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide (PubChem CID 86971477) has the molecular formula C18H19Cl2NO3S and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide
PubChem CID86971477
Molecular FormulaC18H19Cl2NO3S
Molecular Weight400.33 g/mol
Exact Mass399.05
IUPAC Name2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2NO3S/c1-4-25(23,24)14-7-5-6-13(11-14)21-17(22)18(2,3)12-8-9-15(19)16(20)10-12/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyUHNJSVFLJXBAKX-UHFFFAOYSA-N
XLogP4.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide (CID 86971477) is 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide is CCS(=O)(=O)c1cccc(NC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide?
The InChIKey is UHNJSVFLJXBAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3S/c1-4-25(23,24)14-7-5-6-13(11-14)21-17(22)18(2,3)12-8-9-15(19)16(20)10-12/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide?
2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide has a molecular weight of 400.33 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide is sourced from PubChem (CID 86971477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).