N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide

C25H19Cl2N3O6S — CID 91405841

IUPACN-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cccc(Cl)c2C#N)c(C)c1
InChIInChI=1S/C25H19Cl2N3O6S/c1-14-10-17(37(34,35)30-15(2)31)7-8-22(14)29-24(32)13-36-23-9-6-16(26)11-19(23)25(33)18-4-3-5-21(27)20(18)12-28/h3-11H,13H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyZMOQENMOLTXHKB-UHFFFAOYSA-N
MW560.42 g/mol
LogP4.25
Rot. Bonds8

About N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide

N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide (PubChem CID 91405841) has the molecular formula C25H19Cl2N3O6S and a molecular weight of 560.42 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide
PubChem CID91405841
Molecular FormulaC25H19Cl2N3O6S
Molecular Weight560.42 g/mol
Exact Mass559.04
IUPAC NameN-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cccc(Cl)c2C#N)c(C)c1
InChIInChI=1S/C25H19Cl2N3O6S/c1-14-10-17(37(34,35)30-15(2)31)7-8-22(14)29-24(32)13-36-23-9-6-16(26)11-19(23)25(33)18-4-3-5-21(27)20(18)12-28/h3-11H,13H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyZMOQENMOLTXHKB-UHFFFAOYSA-N
XLogP4.25
TPSA142.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl]amino]-3-methylphenyl]sulfonyl-2-methylpropanamide
CID 10303876
N-[4-[[2-[4-chloro-2-(3-cyano-5-methylbenzoyl)phenoxy]acetyl]amino]-3-methylphenyl]sulfonyl-3-piperidin-1-ylpropanamide
CID 142167331
tert-butyl N-[1-[[4-[[2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl]amino]-3-methylphenyl]sulfonylamino]-1-oxopropan-2-yl]carbamate
CID 23596871
2-[4-chloro-2-(1,3-thiazole-2-carbonyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 23149112
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide
CID 58962489
(1E)-N-[4-[[2-[4-chloro-2-[3-cyano-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-3-methylphenyl]sulfonyl-2-methylpropanimidate
CID 23596848
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
2-[4-chloro-2-(3-chloro-5-isocyanobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 23596816
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[2-methyl-4-(pyridin-4-ylmethylsulfamoyl)phenyl]acetamide
CID 58962429
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
2-(2-acetyl-4-chlorophenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7167790
2-[4-chloro-2-(4-isocyanothiophene-2-carbonyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 58962427

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide?
The IUPAC name of N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide (CID 91405841) is N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cccc(Cl)c2C#N)c(C)c1.
What is the InChIKey of N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide?
The InChIKey is ZMOQENMOLTXHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O6S/c1-14-10-17(37(34,35)30-15(2)31)7-8-22(14)29-24(32)13-36-23-9-6-16(26)11-19(23)25(33)18-4-3-5-21(27)20(18)12-28/h3-11H,13H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide?
N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide has a molecular weight of 560.42 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide is sourced from PubChem (CID 91405841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).