N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

C25H20ClF3N2O2S — CID 126172626

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C25H20ClF3N2O2S/c26-20-11-10-19(25(27,28)29)14-21(20)30-23(33)17-6-8-18(9-7-17)24-31(22(32)15-34-24)13-12-16-4-2-1-3-5-16/h1-11,14,24H,12-13,15H2,(H,30,33)/t24-/m1/s1
InChIKeyFALDSZHDFJMFFP-XMMPIXPASA-N
MW504.96 g/mol
LogP6.43
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (PubChem CID 126172626) has the molecular formula C25H20ClF3N2O2S and a molecular weight of 504.96 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
PubChem CID126172626
Molecular FormulaC25H20ClF3N2O2S
Molecular Weight504.96 g/mol
Exact Mass504.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C25H20ClF3N2O2S/c26-20-11-10-19(25(27,28)29)14-21(20)30-23(33)17-6-8-18(9-7-17)24-31(22(32)15-34-24)13-12-16-4-2-1-3-5-16/h1-11,14,24H,12-13,15H2,(H,30,33)/t24-/m1/s1
InChIKeyFALDSZHDFJMFFP-XMMPIXPASA-N
XLogP6.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.96
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (CID 126172626) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is FALDSZHDFJMFFP-XMMPIXPASA-N. The full InChI is InChI=1S/C25H20ClF3N2O2S/c26-20-11-10-19(25(27,28)29)14-21(20)30-23(33)17-6-8-18(9-7-17)24-31(22(32)15-34-24)13-12-16-4-2-1-3-5-16/h1-11,14,24H,12-13,15H2,(H,30,33)/t24-/m1/s1.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 504.96 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 126172626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).