(2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide

C27H36N2O2S — CID 93127592

IUPAC(2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide
SMILESCCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H36N2O2S/c1-6-8-9-19(7-2)25(31)28-22-14-10-20(11-15-22)26-29(24(30)18-32-26)23-16-12-21(13-17-23)27(3,4)5/h10-17,19,26H,6-9,18H2,1-5H3,(H,28,31)/t19-,26-/m1/s1
InChIKeyHFQZJTDJXCVTCW-NIYFSFCBSA-N
MW452.66 g/mol
LogP6.92
Rot. Bonds8

About (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide

(2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide (PubChem CID 93127592) has the molecular formula C27H36N2O2S and a molecular weight of 452.66 g/mol. Its IUPAC name is (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide
PubChem CID93127592
Molecular FormulaC27H36N2O2S
Molecular Weight452.66 g/mol
Exact Mass452.25
IUPAC Name(2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide
SMILESCCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H36N2O2S/c1-6-8-9-19(7-2)25(31)28-22-14-10-20(11-15-22)26-29(24(30)18-32-26)23-16-12-21(13-17-23)27(3,4)5/h10-17,19,26H,6-9,18H2,1-5H3,(H,28,31)/t19-,26-/m1/s1
InChIKeyHFQZJTDJXCVTCW-NIYFSFCBSA-N
XLogP6.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.66
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide with MolForge

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Related Compounds

(2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide
CID 93125033
(2S)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide
CID 93125034
N-[4-[(2S)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127579
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
(2S)-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93126927
2,2-dimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 93126889
N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide
CID 42807473
4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93005242
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124768
4-tert-butyl-N-[4-[(2R)-3-(3-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93128045
(2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide
CID 93127748

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide?
The IUPAC name of (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide (CID 93127592) is (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide.
What is the SMILES notation for (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide?
The canonical SMILES for (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide is CCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide?
The InChIKey is HFQZJTDJXCVTCW-NIYFSFCBSA-N. The full InChI is InChI=1S/C27H36N2O2S/c1-6-8-9-19(7-2)25(31)28-22-14-10-20(11-15-22)26-29(24(30)18-32-26)23-16-12-21(13-17-23)27(3,4)5/h10-17,19,26H,6-9,18H2,1-5H3,(H,28,31)/t19-,26-/m1/s1.
What are the key properties of (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide?
(2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide has a molecular weight of 452.66 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide is sourced from PubChem (CID 93127592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).