N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide

C24H21FN2O4S — CID 93125918

IUPACN-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide
SMILESCOc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2cccc(F)c2)c(OC)c1
InChIInChI=1S/C24H21FN2O4S/c1-30-17-10-11-20(21(13-17)31-2)27-22(28)14-32-24(27)18-8-3-4-9-19(18)26-23(29)15-6-5-7-16(25)12-15/h3-13,24H,14H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyYAUAHXUJPDHSSJ-DEOSSOPVSA-N
MW452.51 g/mol
LogP4.87
Rot. Bonds6

About N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide

N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide (PubChem CID 93125918) has the molecular formula C24H21FN2O4S and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide
PubChem CID93125918
Molecular FormulaC24H21FN2O4S
Molecular Weight452.51 g/mol
Exact Mass452.12
IUPAC NameN-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide
SMILESCOc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2cccc(F)c2)c(OC)c1
InChIInChI=1S/C24H21FN2O4S/c1-30-17-10-11-20(21(13-17)31-2)27-22(28)14-32-24(27)18-8-3-4-9-19(18)26-23(29)15-6-5-7-16(25)12-15/h3-13,24H,14H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyYAUAHXUJPDHSSJ-DEOSSOPVSA-N
XLogP4.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127988
N-[4-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93125898
4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
CID 46132828
N-[2-[(2R)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93126420
N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide
CID 93126255
3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4054923
N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 93127715
N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide
CID 42804337
4-fluoro-N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807109
N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127695
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
CID 130385754
N-[2-[3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide
CID 42807494

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide (CID 93125918) is N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide is COc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2cccc(F)c2)c(OC)c1.
What is the InChIKey of N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide?
The InChIKey is YAUAHXUJPDHSSJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21FN2O4S/c1-30-17-10-11-20(21(13-17)31-2)27-22(28)14-32-24(27)18-8-3-4-9-19(18)26-23(29)15-6-5-7-16(25)12-15/h3-13,24H,14H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide?
N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide has a molecular weight of 452.51 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 93125918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).