2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C20H18F3N3O3S2 — CID 127047492

IUPAC2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(C)cs2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18F3N3O3S2/c1-13-6-8-17(9-7-13)31(28,29)26(11-18(27)25-19-24-14(2)12-30-19)16-5-3-4-15(10-16)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyCPRYUAAGUZKOHG-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.61
Rot. Bonds6

About 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 127047492) has the molecular formula C20H18F3N3O3S2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID127047492
Molecular FormulaC20H18F3N3O3S2
Molecular Weight469.51 g/mol
Exact Mass469.07
IUPAC Name2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(C)cs2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18F3N3O3S2/c1-13-6-8-17(9-7-13)31(28,29)26(11-18(27)25-19-24-14(2)12-30-19)16-5-3-4-15(10-16)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyCPRYUAAGUZKOHG-UHFFFAOYSA-N
XLogP4.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 127047492) is 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(C)cs2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CPRYUAAGUZKOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S2/c1-13-6-8-17(9-7-13)31(28,29)26(11-18(27)25-19-24-14(2)12-30-19)16-5-3-4-15(10-16)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25,27).
What are the key properties of 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 469.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 127047492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).