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

C26H26N2O3S — CID 93125682

IUPACN-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C26H26N2O3S/c1-3-18-5-7-19(8-6-18)25(30)27-21-11-9-20(10-12-21)26-28(24(29)17-32-26)22-13-15-23(16-14-22)31-4-2/h5-16,26H,3-4,17H2,1-2H3,(H,27,30)/t26-/m0/s1
InChIKeyKOKKDGGLAHXYOR-SANMLTNESA-N
MW446.57 g/mol
LogP5.68
Rot. Bonds7

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

N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide (PubChem CID 93125682) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
PubChem CID93125682
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC NameN-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C26H26N2O3S/c1-3-18-5-7-19(8-6-18)25(30)27-21-11-9-20(10-12-21)26-28(24(29)17-32-26)22-13-15-23(16-14-22)31-4-2/h5-16,26H,3-4,17H2,1-2H3,(H,27,30)/t26-/m0/s1
InChIKeyKOKKDGGLAHXYOR-SANMLTNESA-N
XLogP5.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125677
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125956
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-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide
CID 93125674
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93125713
3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125976
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 N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide?
The IUPAC name of N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide (CID 93125682) is N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide is CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(CC)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide?
The InChIKey is KOKKDGGLAHXYOR-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-3-18-5-7-19(8-6-18)25(30)27-21-11-9-20(10-12-21)26-28(24(29)17-32-26)22-13-15-23(16-14-22)31-4-2/h5-16,26H,3-4,17H2,1-2H3,(H,27,30)/t26-/m0/s1.
What are the key properties of N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide?
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide has a molecular weight of 446.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide is sourced from PubChem (CID 93125682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).