N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide

C17H17Cl2NO4S — CID 55403495

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17Cl2NO4S/c1-20(10-12-3-8-15(18)16(19)9-12)17(21)11-24-13-4-6-14(7-5-13)25(2,22)23/h3-9H,10-11H2,1-2H3
InChIKeyKTOAEXUFZAWVDS-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.43
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 55403495) has the molecular formula C17H17Cl2NO4S and a molecular weight of 402.30 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID55403495
Molecular FormulaC17H17Cl2NO4S
Molecular Weight402.30 g/mol
Exact Mass401.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17Cl2NO4S/c1-20(10-12-3-8-15(18)16(19)9-12)17(21)11-24-13-4-6-14(7-5-13)25(2,22)23/h3-9H,10-11H2,1-2H3
InChIKeyKTOAEXUFZAWVDS-UHFFFAOYSA-N
XLogP3.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 26622464
N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 51174659
N-[(3,4-dichlorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199652
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 78814812
2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797510
2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
CID 11337309
2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112795602
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
N-benzyl-2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 126316979
2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55764756
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 112792407

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide (CID 55403495) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is KTOAEXUFZAWVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S/c1-20(10-12-3-8-15(18)16(19)9-12)17(21)11-24-13-4-6-14(7-5-13)25(2,22)23/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 402.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 55403495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).