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

C24H18FN3O4S2 — CID 2348668

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)nc1-c1ccccc1
InChIInChI=1S/C24H18FN3O4S2/c1-15(29)22-21(16-8-3-2-4-9-16)26-24(33-22)27-23(30)17-10-7-11-18(14-17)34(31,32)28-20-13-6-5-12-19(20)25/h2-14,28H,1H3,(H,26,27,30)
InChIKeyGNQLWCFUQJLFEU-UHFFFAOYSA-N
MW495.56 g/mol
LogP5.20
Rot. Bonds7

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

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 2348668) has the molecular formula C24H18FN3O4S2 and a molecular weight of 495.56 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID2348668
Molecular FormulaC24H18FN3O4S2
Molecular Weight495.56 g/mol
Exact Mass495.07
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)nc1-c1ccccc1
InChIInChI=1S/C24H18FN3O4S2/c1-15(29)22-21(16-8-3-2-4-9-16)26-24(33-22)27-23(30)17-10-7-11-18(14-17)34(31,32)28-20-13-6-5-12-19(20)25/h2-14,28H,1H3,(H,26,27,30)
InChIKeyGNQLWCFUQJLFEU-UHFFFAOYSA-N
XLogP5.20
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.56
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121042716
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 24687299
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide
CID 26196494
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
CID 42992510
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3540280
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide (CID 2348668) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide is CC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is GNQLWCFUQJLFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O4S2/c1-15(29)22-21(16-8-3-2-4-9-16)26-24(33-22)27-23(30)17-10-7-11-18(14-17)34(31,32)28-20-13-6-5-12-19(20)25/h2-14,28H,1H3,(H,26,27,30).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 495.56 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2348668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).