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

C25H24N2O3S — CID 93125713

IUPACN-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-30-22-13-11-21(12-14-22)27-23(28)16-31-25(27)19-5-4-6-20(15-19)26-24(29)18-9-7-17(2)8-10-18/h4-15,25H,3,16H2,1-2H3,(H,26,29)/t25-/m0/s1
InChIKeyHNAAOAOGONEVEY-VWLOTQADSA-N
MW432.55 g/mol
LogP5.42
Rot. Bonds6

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

N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide (PubChem CID 93125713) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
PubChem CID93125713
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-30-22-13-11-21(12-14-22)27-23(28)16-31-25(27)19-5-4-6-20(15-19)26-24(29)18-9-7-17(2)8-10-18/h4-15,25H,3,16H2,1-2H3,(H,26,29)/t25-/m0/s1
InChIKeyHNAAOAOGONEVEY-VWLOTQADSA-N
XLogP5.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125732
4-butoxy-N-[3-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125878
N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]furan-2-carboxamide
CID 46132672
ethyl 4-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]anilino]-4-oxobutanoate
CID 93125737
4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125793
4-chloro-N-[3-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125852
N-[3-[(2S)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127630
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
N-[3-[(2R)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93126288
4-methoxy-N-[3-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127088
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide (CID 93125713) is N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide is CCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide?
The InChIKey is HNAAOAOGONEVEY-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-30-22-13-11-21(12-14-22)27-23(28)16-31-25(27)19-5-4-6-20(15-19)26-24(29)18-9-7-17(2)8-10-18/h4-15,25H,3,16H2,1-2H3,(H,26,29)/t25-/m0/s1.
What are the key properties of N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide?
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide has a molecular weight of 432.55 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 93125713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).