3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide

C18H17FN2O4S — CID 20997331

IUPAC3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide
SMILESCC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3cccc(F)c3)c2)C1=O
InChIInChI=1S/C18H17FN2O4S/c1-18(2)11-26(24,25)21(17(18)23)15-8-3-5-12(9-15)16(22)20-14-7-4-6-13(19)10-14/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyZJZVCIDPOCPXIO-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.78
Rot. Bonds3

About 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide

3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide (PubChem CID 20997331) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide
PubChem CID20997331
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide
SMILESCC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3cccc(F)c3)c2)C1=O
InChIInChI=1S/C18H17FN2O4S/c1-18(2)11-26(24,25)21(17(18)23)15-8-3-5-12(9-15)16(22)20-14-7-4-6-13(19)10-14/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyZJZVCIDPOCPXIO-UHFFFAOYSA-N
XLogP2.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997302
N-(2,6-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997277
N-(2,6-dichlorophenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007488
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 20997281
N-(2,4-dichlorophenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007485
N-(2-bromo-4-methylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007467
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007479
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 20997286
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-methylbutyl)benzamide
CID 21007459
N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007441
4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 117030024
N-(3,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996826

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide (CID 20997331) is 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide is CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3cccc(F)c3)c2)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide?
The InChIKey is ZJZVCIDPOCPXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-18(2)11-26(24,25)21(17(18)23)15-8-3-5-12(9-15)16(22)20-14-7-4-6-13(19)10-14/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide?
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide has a molecular weight of 376.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 20997331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).