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

C20H20FN3O3S2 — CID 17468980

IUPAC2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O3S2/c1-22-29(26,27)13-16-5-3-2-4-15(16)11-23-19(25)10-18-12-28-20(24-18)14-6-8-17(21)9-7-14/h2-9,12,22H,10-11,13H2,1H3,(H,23,25)
InChIKeyYYDXIAXAHWWWGC-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.86
Rot. Bonds8

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

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 17468980) has the molecular formula C20H20FN3O3S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID17468980
Molecular FormulaC20H20FN3O3S2
Molecular Weight433.53 g/mol
Exact Mass433.09
IUPAC Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O3S2/c1-22-29(26,27)13-16-5-3-2-4-15(16)11-23-19(25)10-18-12-28-20(24-18)14-6-8-17(21)9-7-14/h2-9,12,22H,10-11,13H2,1H3,(H,23,25)
InChIKeyYYDXIAXAHWWWGC-UHFFFAOYSA-N
XLogP2.86
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110333023
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110317221
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110342285
benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 18271955
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2579290

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide (CID 17468980) is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is YYDXIAXAHWWWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S2/c1-22-29(26,27)13-16-5-3-2-4-15(16)11-23-19(25)10-18-12-28-20(24-18)14-6-8-17(21)9-7-14/h2-9,12,22H,10-11,13H2,1H3,(H,23,25).
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17468980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).