2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide

C19H22Cl2N2O4S — CID 24678249

IUPAC2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2O4S/c1-13-5-4-6-18(14(13)2)22-19(24)12-23(9-10-27-3)28(25,26)15-7-8-16(20)17(21)11-15/h4-8,11H,9-10,12H2,1-3H3,(H,22,24)
InChIKeyPYXXOUMSSFPYIT-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.89
Rot. Bonds8

About 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide

2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 24678249) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID24678249
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2O4S/c1-13-5-4-6-18(14(13)2)22-19(24)12-23(9-10-27-3)28(25,26)15-7-8-16(20)17(21)11-15/h4-8,11H,9-10,12H2,1-3H3,(H,22,24)
InChIKeyPYXXOUMSSFPYIT-UHFFFAOYSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 24678241
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-(4-propylphenyl)sulfonylamino]acetamide
CID 24678262
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 24678284
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 126010729
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 2175051
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24684527
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482
2-(3,4-dichloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3668797
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2290702
N-[2-chloro-4-[2-methoxyethyl(propyl)sulfamoyl]phenyl]acetamide
CID 3684242
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17445264

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide (CID 24678249) is 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide is COCCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is PYXXOUMSSFPYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-13-5-4-6-18(14(13)2)22-19(24)12-23(9-10-27-3)28(25,26)15-7-8-16(20)17(21)11-15/h4-8,11H,9-10,12H2,1-3H3,(H,22,24).
What are the key properties of 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 445.37 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 24678249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).