2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C23H24ClF3N2O2S — CID 42745284

IUPAC2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C1SCC(C(=O)NCc2cccc(C(F)(F)F)c2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C23H24ClF3N2O2S/c1-22(2,3)21-29(20(31)16-9-4-5-10-17(16)24)18(13-32-21)19(30)28-12-14-7-6-8-15(11-14)23(25,26)27/h4-11,18,21H,12-13H2,1-3H3,(H,28,30)
InChIKeyAVQIRLIKYZVYIF-UHFFFAOYSA-N
MW484.97 g/mol
LogP5.61
Rot. Bonds4

About 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 42745284) has the molecular formula C23H24ClF3N2O2S and a molecular weight of 484.97 g/mol. Its IUPAC name is 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID42745284
Molecular FormulaC23H24ClF3N2O2S
Molecular Weight484.97 g/mol
Exact Mass484.12
IUPAC Name2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C1SCC(C(=O)NCc2cccc(C(F)(F)F)c2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C23H24ClF3N2O2S/c1-22(2,3)21-29(20(31)16-9-4-5-10-17(16)24)18(13-32-21)19(30)28-12-14-7-6-8-15(11-14)23(25,26)27/h4-11,18,21H,12-13H2,1-3H3,(H,28,30)
InChIKeyAVQIRLIKYZVYIF-UHFFFAOYSA-N
XLogP5.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.97
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42745406
2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745281
2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42744948
2-(4-tert-butylphenyl)-3-(2-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744230
2-chloro-N-[2-[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111268209
tert-butyl (2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 70053161
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728775
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744185
1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 35440215

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 42745284) is 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is CC(C)(C)C1SCC(C(=O)NCc2cccc(C(F)(F)F)c2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is AVQIRLIKYZVYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N2O2S/c1-22(2,3)21-29(20(31)16-9-4-5-10-17(16)24)18(13-32-21)19(30)28-12-14-7-6-8-15(11-14)23(25,26)27/h4-11,18,21H,12-13H2,1-3H3,(H,28,30).
What are the key properties of 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 484.97 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).