2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide

C20H20FN3O3S2 — CID 21051266

IUPAC2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide
SMILESCNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccc3F)cc2)nc1C
InChIInChI=1S/C20H20FN3O3S2/c1-13-19(29(26,27)22-2)28-20(23-13)24(3)18(25)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21/h4-11,22H,12H2,1-3H3
InChIKeyLMMQXRPOQVNCHA-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.37
Rot. Bonds6

About 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide

2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 21051266) has the molecular formula C20H20FN3O3S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide
PubChem CID21051266
Molecular FormulaC20H20FN3O3S2
Molecular Weight433.53 g/mol
Exact Mass433.09
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide
SMILESCNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccc3F)cc2)nc1C
InChIInChI=1S/C20H20FN3O3S2/c1-13-19(29(26,27)22-2)28-20(23-13)24(3)18(25)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21/h4-11,22H,12H2,1-3H3
InChIKeyLMMQXRPOQVNCHA-UHFFFAOYSA-N
XLogP3.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-methyl-5-(methylsulfamoyl)thiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 3003616
N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
CID 5278580
N-[5-(2-hydroxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 12094253
N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
CID 15523879
2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
CID 23111570
2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)acetamide
CID 504302
2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)acetamide
CID 504303
N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 21051327
N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 21051344
Adibelivir
CID 138523649
trans-N-(5-(N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylsulfamoyl)-4-methylthiazol-2-yl)acetamide
CID 53326704
N-[2-(dimethylamino)ethyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
CID 137636453

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide (CID 21051266) is 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide is CNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccc3F)cc2)nc1C.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LMMQXRPOQVNCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S2/c1-13-19(29(26,27)22-2)28-20(23-13)24(3)18(25)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21/h4-11,22H,12H2,1-3H3.
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 21051266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).