2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide

C25H21ClF4N2O5S — CID 11613923

IUPAC2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21ClF4N2O5S/c1-14-8-19(38(35,36)32(2)3)5-6-21(14)31-23(33)13-37-22-7-4-17(26)12-20(22)24(34)15-9-16(25(28,29)30)11-18(27)10-15/h4-12H,13H2,1-3H3,(H,31,33)
InChIKeyALLQDFMKVJMXSZ-UHFFFAOYSA-N
MW572.96 g/mol
LogP5.31
Rot. Bonds8

About 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide

2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 11613923) has the molecular formula C25H21ClF4N2O5S and a molecular weight of 572.96 g/mol. Its IUPAC name is 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID11613923
Molecular FormulaC25H21ClF4N2O5S
Molecular Weight572.96 g/mol
Exact Mass572.08
IUPAC Name2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21ClF4N2O5S/c1-14-8-19(38(35,36)32(2)3)5-6-21(14)31-23(33)13-37-22-7-4-17(26)12-20(22)24(34)15-9-16(25(28,29)30)11-18(27)10-15/h4-12H,13H2,1-3H3,(H,31,33)
InChIKeyALLQDFMKVJMXSZ-UHFFFAOYSA-N
XLogP5.31
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.96
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-(4-(aminosulfonyl)-2-methylphenyl)-2-(4-chloro-2-(3-fluoro-5-(trifluoromethyl)benzoyl)phenoxy)-
CID 486517
GW-678248
CID 486532
Gw-695634
CID 9916697
2-[4-chloro-2-(3-cyano-5-methyl-benzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486530
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-3,4-dimethyl-benzamide
CID 71449415
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-2,5-dimethyl-benzamide
CID 71454769
3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]benzamide
CID 71456540
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-2,4-dimethyl-benzamide
CID 71458393
3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-5-cyano-benzamide
CID 71458396
2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide
CID 486523
2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486527
2-[4-chloro-2-(3,5-dimethylbenzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486533

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide (CID 11613923) is 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide is Cc1cc(S(=O)(=O)N(C)C)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is ALLQDFMKVJMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF4N2O5S/c1-14-8-19(38(35,36)32(2)3)5-6-21(14)31-23(33)13-37-22-7-4-17(26)12-20(22)24(34)15-9-16(25(28,29)30)11-18(27)10-15/h4-12H,13H2,1-3H3,(H,31,33).
What are the key properties of 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 572.96 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 11613923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).