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

C20H19F2N3O2S2 — CID 138523649

IUPAC2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide
SMILES[H]N=[S@@](C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C
InChIInChI=1S/C20H19F2N3O2S2/c1-12-19(29(3,23)27)28-20(24-12)25(2)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22/h4-9,11,23H,10H2,1-3H3/t29-/m0/s1
InChIKeyJDZTWDISDHLKCR-LJAQVGFWSA-N
MW435.52 g/mol
LogP4.64
Rot. Bonds5

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

2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 138523649) has the molecular formula C20H19F2N3O2S2 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide
PubChem CID138523649
Molecular FormulaC20H19F2N3O2S2
Molecular Weight435.52 g/mol
Exact Mass435.09
IUPAC Name2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide
SMILES[H]N=[S@@](C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C
InChIInChI=1S/C20H19F2N3O2S2/c1-12-19(29(3,23)27)28-20(24-12)25(2)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22/h4-9,11,23H,10H2,1-3H3/t29-/m0/s1
InChIKeyJDZTWDISDHLKCR-LJAQVGFWSA-N
XLogP4.64
TPSA74.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.64
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
2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 21051266
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
N-[2-(dimethylamino)ethyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
CID 137636453
N-[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 137655132

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide (CID 138523649) is 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide is [H]N=[S@@](C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JDZTWDISDHLKCR-LJAQVGFWSA-N. The full InChI is InChI=1S/C20H19F2N3O2S2/c1-12-19(29(3,23)27)28-20(24-12)25(2)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22/h4-9,11,23H,10H2,1-3H3/t29-/m0/s1.
What are the key properties of 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 138523649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).