N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide

C23H18FN3O3S2 — CID 22912147

IUPACN-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2sc(C(=O)NCc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O3S2/c24-18-10-6-16(7-11-18)20-21(17-8-12-19(13-9-17)32(25,29)30)31-23(27-20)22(28)26-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,26,28)(H2,25,29,30)
InChIKeyMAOUSGRIHSMLLE-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.19
Rot. Bonds6

About N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide

N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 22912147) has the molecular formula C23H18FN3O3S2 and a molecular weight of 467.55 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID22912147
Molecular FormulaC23H18FN3O3S2
Molecular Weight467.55 g/mol
Exact Mass467.08
IUPAC NameN-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2sc(C(=O)NCc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O3S2/c24-18-10-6-16(7-11-18)20-21(17-8-12-19(13-9-17)32(25,29)30)31-23(27-20)22(28)26-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,26,28)(H2,25,29,30)
InChIKeyMAOUSGRIHSMLLE-UHFFFAOYSA-N
XLogP4.19
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 22911826
4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22911720
4-[2-(cyanomethyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 22912337
4-[2-(3-bromobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 22912201
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane
CID 142982468
3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22912318
3-chloro-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22911911
4-[2-[3-(4-bromophenyl)propyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide
CID 22912161
5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26643926
4-[5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 22911997
4-[2-[(4-chlorophenyl)methylsulfonyl]-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 22912409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide (CID 22912147) is N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide is NS(=O)(=O)c1ccc(-c2sc(C(=O)NCc3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is MAOUSGRIHSMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S2/c24-18-10-6-16(7-11-18)20-21(17-8-12-19(13-9-17)32(25,29)30)31-23(27-20)22(28)26-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,26,28)(H2,25,29,30).
What are the key properties of N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide?
N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22912147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).