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

C24H21FN2O3S — CID 93126247

IUPACN-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide
SMILESCCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H21FN2O3S/c1-2-30-21-10-6-5-9-20(21)27-22(28)15-31-24(27)16-11-13-17(14-12-16)26-23(29)18-7-3-4-8-19(18)25/h3-14,24H,2,15H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyYVFFNMNRHZISJR-DEOSSOPVSA-N
MW436.51 g/mol
LogP5.26
Rot. Bonds6

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

N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide (PubChem CID 93126247) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide
PubChem CID93126247
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC NameN-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide
SMILESCCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H21FN2O3S/c1-2-30-21-10-6-5-9-20(21)27-22(28)15-31-24(27)16-11-13-17(14-12-16)26-23(29)18-7-3-4-8-19(18)25/h3-14,24H,2,15H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyYVFFNMNRHZISJR-DEOSSOPVSA-N
XLogP5.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93126259
2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125744
2-fluoro-N-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125379
4-fluoro-N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807109
N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42807105
(3R)-N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5,5-trimethylhexanamide
CID 93126239
2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127255
2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 46075872
2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127283
4-tert-butyl-N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126876
ethyl 4-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]anilino]-4-oxobutanoate
CID 42807132
N-[3-[(2R)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93126288

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide (CID 93126247) is N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide is CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide?
The InChIKey is YVFFNMNRHZISJR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-2-30-21-10-6-5-9-20(21)27-22(28)15-31-24(27)16-11-13-17(14-12-16)26-23(29)18-7-3-4-8-19(18)25/h3-14,24H,2,15H2,1H3,(H,26,29)/t24-/m0/s1.
What are the key properties of N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide?
N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide has a molecular weight of 436.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 93126247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).