N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide

C21H22FN3O3S2 — CID 16550277

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C21H22FN3O3S2/c1-3-25(4-2)30(27,28)17-10-11-19(22)18(13-17)20(26)24-21-23-14-16(29-21)12-15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24,26)
InChIKeyGXZXPZLHIUXSKK-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.16
Rot. Bonds8

About N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide

N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide (PubChem CID 16550277) has the molecular formula C21H22FN3O3S2 and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide
PubChem CID16550277
Molecular FormulaC21H22FN3O3S2
Molecular Weight447.56 g/mol
Exact Mass447.11
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C21H22FN3O3S2/c1-3-25(4-2)30(27,28)17-10-11-19(22)18(13-17)20(26)24-21-23-14-16(29-21)12-15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24,26)
InChIKeyGXZXPZLHIUXSKK-UHFFFAOYSA-N
XLogP4.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[benzyl(ethyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 5153096
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 37149211
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
CID 4254438
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide
CID 51152768
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 37265916

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide (CID 16550277) is N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ncc(Cc3ccccc3)s2)c1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is GXZXPZLHIUXSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S2/c1-3-25(4-2)30(27,28)17-10-11-19(22)18(13-17)20(26)24-21-23-14-16(29-21)12-15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24,26).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 447.56 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 16550277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).