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

C19H18FN3O3S2 — CID 23111570

IUPAC2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3cccc(F)c3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11H,10H2,1-2H3,(H2,21,25,26)
InChIKeyLOIGRGFOMRMZPF-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.11
Rot. Bonds5

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

2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide (PubChem CID 23111570) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
PubChem CID23111570
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC Name2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3cccc(F)c3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11H,10H2,1-2H3,(H2,21,25,26)
InChIKeyLOIGRGFOMRMZPF-UHFFFAOYSA-N
XLogP3.11
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.11
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-(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
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-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide (CID 23111570) is 2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-c3cccc(F)c3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of 2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LOIGRGFOMRMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11H,10H2,1-2H3,(H2,21,25,26).
What are the key properties of 2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 419.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 23111570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).