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

C25H24N2O2S — CID 42805280

IUPACN-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
SMILESCCc1ccc(N2C(=O)CSC2c2cccc(NC(=O)c3ccccc3C)c2)cc1
InChIInChI=1S/C25H24N2O2S/c1-3-18-11-13-21(14-12-18)27-23(28)16-30-25(27)19-8-6-9-20(15-19)26-24(29)22-10-5-4-7-17(22)2/h4-15,25H,3,16H2,1-2H3,(H,26,29)
InChIKeyVAMOIBPIORVOMR-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.59
Rot. Bonds5

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

N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide (PubChem CID 42805280) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
PubChem CID42805280
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
SMILESCCc1ccc(N2C(=O)CSC2c2cccc(NC(=O)c3ccccc3C)c2)cc1
InChIInChI=1S/C25H24N2O2S/c1-3-18-11-13-21(14-12-18)27-23(28)16-30-25(27)19-8-6-9-20(15-19)26-24(29)22-10-5-4-7-17(22)2/h4-15,25H,3,16H2,1-2H3,(H,26,29)
InChIKeyVAMOIBPIORVOMR-UHFFFAOYSA-N
XLogP5.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide (CID 42805280) is N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide is CCc1ccc(N2C(=O)CSC2c2cccc(NC(=O)c3ccccc3C)c2)cc1.
What is the InChIKey of N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
The InChIKey is VAMOIBPIORVOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-3-18-11-13-21(14-12-18)27-23(28)16-30-25(27)19-8-6-9-20(15-19)26-24(29)22-10-5-4-7-17(22)2/h4-15,25H,3,16H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide has a molecular weight of 416.55 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 42805280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).