N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide

C21H20F3N3O3S2 — CID 21051344

IUPACN-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C21H20F3N3O3S2/c1-14-19(32(29,30)25-13-21(22,23)24)31-20(26-14)27(2)18(28)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,25H,12-13H2,1-2H3
InChIKeyKNKNARMEEXTMHD-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.16
Rot. Bonds7

About N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide

N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 21051344) has the molecular formula C21H20F3N3O3S2 and a molecular weight of 483.54 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide
PubChem CID21051344
Molecular FormulaC21H20F3N3O3S2
Molecular Weight483.54 g/mol
Exact Mass483.09
IUPAC NameN-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C21H20F3N3O3S2/c1-14-19(32(29,30)25-13-21(22,23)24)31-20(26-14)27(2)18(28)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,25H,12-13H2,1-2H3
InChIKeyKNKNARMEEXTMHD-UHFFFAOYSA-N
XLogP4.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide (CID 21051344) is N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The InChIKey is KNKNARMEEXTMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3S2/c1-14-19(32(29,30)25-13-21(22,23)24)31-20(26-14)27(2)18(28)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,25H,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide?
N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 483.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 21051344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).