N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C20H20FN3O3S2 — CID 35804756

IUPACN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C20H20FN3O3S2/c1-13(2)24(3)29(26,27)17-9-7-14(8-10-17)19(25)23-20-22-18(12-28-20)15-5-4-6-16(21)11-15/h4-13H,1-3H3,(H,22,23,25)
InChIKeyPVGUSDFSZUXMRJ-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.23
Rot. Bonds6

About N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 35804756) has the molecular formula C20H20FN3O3S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID35804756
Molecular FormulaC20H20FN3O3S2
Molecular Weight433.53 g/mol
Exact Mass433.09
IUPAC NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C20H20FN3O3S2/c1-13(2)24(3)29(26,27)17-9-7-14(8-10-17)19(25)23-20-22-18(12-28-20)15-5-4-6-16(21)11-15/h4-13H,1-3H3,(H,22,23,25)
InChIKeyPVGUSDFSZUXMRJ-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 44993047
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 36539422
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
4-[methyl(propan-2-yl)sulfamoyl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 35804701
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 32622585
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363664
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993057
4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 43947043
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75451205
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 32623146
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 35804756) is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1.
What is the InChIKey of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is PVGUSDFSZUXMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S2/c1-13(2)24(3)29(26,27)17-9-7-14(8-10-17)19(25)23-20-22-18(12-28-20)15-5-4-6-16(21)11-15/h4-13H,1-3H3,(H,22,23,25).
What are the key properties of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 433.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 35804756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).