N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide

C19H14F2N2O4S2 — CID 26196494

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H14F2N2O4S2/c1-11(24)16-15(12-5-3-2-4-6-12)22-19(28-16)23-17(25)13-7-9-14(10-8-13)29(26,27)18(20)21/h2-10,18H,1H3,(H,22,23,25)
InChIKeyHYTJKVYPCYHXLM-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.26
Rot. Bonds6

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide (PubChem CID 26196494) has the molecular formula C19H14F2N2O4S2 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide
PubChem CID26196494
Molecular FormulaC19H14F2N2O4S2
Molecular Weight436.46 g/mol
Exact Mass436.04
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H14F2N2O4S2/c1-11(24)16-15(12-5-3-2-4-6-12)22-19(28-16)23-17(25)13-7-9-14(10-8-13)29(26,27)18(20)21/h2-10,18H,1H3,(H,22,23,25)
InChIKeyHYTJKVYPCYHXLM-UHFFFAOYSA-N
XLogP4.26
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)benzamide
CID 8918344
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3540280
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 40852738
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41044546
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55454420
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2348668
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121042716
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide (CID 26196494) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide is CC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is HYTJKVYPCYHXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O4S2/c1-11(24)16-15(12-5-3-2-4-6-12)22-19(28-16)23-17(25)13-7-9-14(10-8-13)29(26,27)18(20)21/h2-10,18H,1H3,(H,22,23,25).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 436.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 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)-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 26196494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).