4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C28H30N2O3S — CID 93125663

IUPAC4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C28H30N2O3S/c1-5-33-24-16-14-23(15-17-24)30-25(31)18-34-27(30)20-8-12-22(13-9-20)29-26(32)19-6-10-21(11-7-19)28(2,3)4/h6-17,27H,5,18H2,1-4H3,(H,29,32)/t27-/m0/s1
InChIKeyFYFHDOYEEIBGSJ-MHZLTWQESA-N
MW474.63 g/mol
LogP6.41
Rot. Bonds6

About 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93125663) has the molecular formula C28H30N2O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93125663
Molecular FormulaC28H30N2O3S
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC Name4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C28H30N2O3S/c1-5-33-24-16-14-23(15-17-24)30-25(31)18-34-27(30)20-8-12-22(13-9-20)29-26(32)19-6-10-21(11-7-19)28(2,3)4/h6-17,27H,5,18H2,1-4H3,(H,29,32)/t27-/m0/s1
InChIKeyFYFHDOYEEIBGSJ-MHZLTWQESA-N
XLogP6.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125677
N-[4-[(2S)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127579
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 93125671
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide
CID 42807473
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93125713
4-tert-butyl-N-[4-[(2R)-3-(3-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93128045
4-butoxy-N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125732
4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125813

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93125663) is 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is FYFHDOYEEIBGSJ-MHZLTWQESA-N. The full InChI is InChI=1S/C28H30N2O3S/c1-5-33-24-16-14-23(15-17-24)30-25(31)18-34-27(30)20-8-12-22(13-9-20)29-26(32)19-6-10-21(11-7-19)28(2,3)4/h6-17,27H,5,18H2,1-4H3,(H,29,32)/t27-/m0/s1.
What are the key properties of 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 474.63 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93125663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).