2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide

C25H23ClN2O2S — CID 93127334

IUPAC2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C25H23ClN2O2S/c1-16(2)17-9-5-8-14-22(17)28-23(29)15-31-25(28)19-11-4-7-13-21(19)27-24(30)18-10-3-6-12-20(18)26/h3-14,16,25H,15H2,1-2H3,(H,27,30)/t25-/m1/s1
InChIKeyBZXGREJWCLLPLA-RUZDIDTESA-N
MW450.99 g/mol
LogP6.49
Rot. Bonds5

About 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide

2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127334) has the molecular formula C25H23ClN2O2S and a molecular weight of 450.99 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93127334
Molecular FormulaC25H23ClN2O2S
Molecular Weight450.99 g/mol
Exact Mass450.12
IUPAC Name2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C25H23ClN2O2S/c1-16(2)17-9-5-8-14-22(17)28-23(29)15-31-25(28)19-11-4-7-13-21(19)27-24(30)18-10-3-6-12-20(18)26/h3-14,16,25H,15H2,1-2H3,(H,27,30)/t25-/m1/s1
InChIKeyBZXGREJWCLLPLA-RUZDIDTESA-N
XLogP6.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.99
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126401
2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127283
(2S)-2-chloro-N-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 93123942
2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125744
4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127278
N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
CID 93125698
4-tert-butyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127309
(2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 93127319
4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
CID 46132828
N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42807204
2-chloro-N-[3-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126881
2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide
CID 13268056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127334) is 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is BZXGREJWCLLPLA-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23ClN2O2S/c1-16(2)17-9-5-8-14-22(17)28-23(29)15-31-25(28)19-11-4-7-13-21(19)27-24(30)18-10-3-6-12-20(18)26/h3-14,16,25H,15H2,1-2H3,(H,27,30)/t25-/m1/s1.
What are the key properties of 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?
2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 450.99 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).