N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide

C24H17FN2O4S2 — CID 16799550

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C24H17FN2O4S2/c25-18-11-13-19(14-12-18)33(30,31)15-20(28)26-24-27-21(16-7-3-1-4-8-16)23(32-24)22(29)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,27,28)
InChIKeyAJMXAQCSUUFVHG-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.59
Rot. Bonds7

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 16799550) has the molecular formula C24H17FN2O4S2 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID16799550
Molecular FormulaC24H17FN2O4S2
Molecular Weight480.54 g/mol
Exact Mass480.06
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C24H17FN2O4S2/c25-18-11-13-19(14-12-18)33(30,31)15-20(28)26-24-27-21(16-7-3-1-4-8-16)23(32-24)22(29)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,27,28)
InChIKeyAJMXAQCSUUFVHG-UHFFFAOYSA-N
XLogP4.59
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41044546
2-(benzenesulfonyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
CID 18573228
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 16831339
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827506
2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16799558
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 55361701
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropylsulfonyl)propanamide
CID 112832616
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112812503
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 41151832
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-[bis(prop-2-enyl)sulfamoyl]benzamide
CID 4118461
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544666

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide (CID 16799550) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is AJMXAQCSUUFVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O4S2/c25-18-11-13-19(14-12-18)33(30,31)15-20(28)26-24-27-21(16-7-3-1-4-8-16)23(32-24)22(29)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,27,28).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 480.54 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 16799550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).