N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide

C25H24N2O3S — CID 42806124

IUPACN-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
SMILESCCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C25H24N2O3S/c1-3-17-7-4-5-10-22(17)27-23(28)16-31-25(27)19-8-6-9-20(15-19)26-24(29)18-11-13-21(30-2)14-12-18/h4-15,25H,3,16H2,1-2H3,(H,26,29)
InChIKeyKAYOOHUAHOKBFR-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.29
Rot. Bonds6

About N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide

N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide (PubChem CID 42806124) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
PubChem CID42806124
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
SMILESCCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C25H24N2O3S/c1-3-17-7-4-5-10-22(17)27-23(28)16-31-25(27)19-8-6-9-20(15-19)26-24(29)18-11-13-21(30-2)14-12-18/h4-15,25H,3,16H2,1-2H3,(H,26,29)
InChIKeyKAYOOHUAHOKBFR-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2R)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93126288
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide
CID 42806144
3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807196
4-methoxy-N-[3-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127088
3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42806145
4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93005218
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 42806131
4-butoxy-N-[3-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125878
4-ethyl-N-[3-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127128
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
N-[3-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127190

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide (CID 42806124) is N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide is CCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide?
The InChIKey is KAYOOHUAHOKBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-17-7-4-5-10-22(17)27-23(28)16-31-25(27)19-8-6-9-20(15-19)26-24(29)18-11-13-21(30-2)14-12-18/h4-15,25H,3,16H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide?
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide has a molecular weight of 432.55 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 42806124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).