N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide

C27H30F3N3O5S2 — CID 4125754

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C27H30F3N3O5S2/c1-17-12-19(3)26(20(4)13-17)40(37,38)33(22-9-7-8-21(14-22)27(28,29)30)16-25(34)31-24-15-23(11-10-18(24)2)39(35,36)32(5)6/h7-15H,16H2,1-6H3,(H,31,34)
InChIKeyARXDTALARKMKKK-UHFFFAOYSA-N
MW597.68 g/mol
LogP5.02
Rot. Bonds8

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide (PubChem CID 4125754) has the molecular formula C27H30F3N3O5S2 and a molecular weight of 597.68 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide
PubChem CID4125754
Molecular FormulaC27H30F3N3O5S2
Molecular Weight597.68 g/mol
Exact Mass597.16
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C27H30F3N3O5S2/c1-17-12-19(3)26(20(4)13-17)40(37,38)33(22-9-7-8-21(14-22)27(28,29)30)16-25(34)31-24-15-23(11-10-18(24)2)39(35,36)32(5)6/h7-15H,16H2,1-6H3,(H,31,34)
InChIKeyARXDTALARKMKKK-UHFFFAOYSA-N
XLogP5.02
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.68
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-[[2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 28589910
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylphenyl)acetamide
CID 30169726
N-(2-methyl-5-nitrophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 21372296
N-(2,5-dimethylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 5006626
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 126135839
N-(3-fluorophenyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126032178
N-(2,3-dimethylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1317874
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 26774017
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-nitrophenyl)acetamide
CID 126034079
dimethyl 2-[[2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzene-1,4-dicarboxylate
CID 126272010
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide
CID 126268693
N-(2-tert-butylsulfanylethyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 2286892

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide (CID 4125754) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide?
The InChIKey is ARXDTALARKMKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O5S2/c1-17-12-19(3)26(20(4)13-17)40(37,38)33(22-9-7-8-21(14-22)27(28,29)30)16-25(34)31-24-15-23(11-10-18(24)2)39(35,36)32(5)6/h7-15H,16H2,1-6H3,(H,31,34).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide has a molecular weight of 597.68 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 4125754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).