N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

C23H16F4N2O2S — CID 93124749

IUPACN-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F4N2O2S/c24-18-6-1-2-7-19(18)29-20(30)13-32-22(29)15-4-3-5-17(12-15)28-21(31)14-8-10-16(11-9-14)23(25,26)27/h1-12,22H,13H2,(H,28,31)/t22-/m0/s1
InChIKeyNANFRXVUMNSXJS-QFIPXVFZSA-N
MW460.45 g/mol
LogP5.88
Rot. Bonds4

About N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 93124749) has the molecular formula C23H16F4N2O2S and a molecular weight of 460.45 g/mol. Its IUPAC name is N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID93124749
Molecular FormulaC23H16F4N2O2S
Molecular Weight460.45 g/mol
Exact Mass460.09
IUPAC NameN-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F4N2O2S/c24-18-6-1-2-7-19(18)29-20(30)13-32-22(29)15-4-3-5-17(12-15)28-21(31)14-8-10-16(11-9-14)23(25,26)27/h1-12,22H,13H2,(H,28,31)/t22-/m0/s1
InChIKeyNANFRXVUMNSXJS-QFIPXVFZSA-N
XLogP5.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93127563
N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127375
N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127376
N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93127885
4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126951
N-[3-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93125889
4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127409
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 42806124
N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42807204
N-[3-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127627
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide
CID 42806144
N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 93124944

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 93124749) is N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is NANFRXVUMNSXJS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H16F4N2O2S/c24-18-6-1-2-7-19(18)29-20(30)13-32-22(29)15-4-3-5-17(12-15)28-21(31)14-8-10-16(11-9-14)23(25,26)27/h1-12,22H,13H2,(H,28,31)/t22-/m0/s1.
What are the key properties of N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 460.45 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 93124749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).