N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide

C25H24N2O4S — CID 93127988

IUPACN-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(OC)c(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H24N2O4S/c1-16-8-10-17(11-9-16)24(29)26-20-7-5-4-6-19(20)25-27(23(28)15-32-25)21-14-18(30-2)12-13-22(21)31-3/h4-14,25H,15H2,1-3H3,(H,26,29)/t25-/m1/s1
InChIKeyRZHUOQFOIVXVOJ-RUZDIDTESA-N
MW448.54 g/mol
LogP5.04
Rot. Bonds6

About N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide

N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide (PubChem CID 93127988) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
PubChem CID93127988
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(OC)c(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H24N2O4S/c1-16-8-10-17(11-9-16)24(29)26-20-7-5-4-6-19(20)25-27(23(28)15-32-25)21-14-18(30-2)12-13-22(21)31-3/h4-14,25H,15H2,1-3H3,(H,26,29)/t25-/m1/s1
InChIKeyRZHUOQFOIVXVOJ-RUZDIDTESA-N
XLogP5.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide
CID 42804337
N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide
CID 93125918
4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
CID 46132828
N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804415
2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126401
N-[2-[(2R)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93126420
N-[4-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93125898
2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 42803990
4-fluoro-N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807109
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 42806124
4-tert-butyl-N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126876
N-[3-[(2R)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93126288

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide (CID 93127988) is N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide is COc1ccc(OC)c(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide?
The InChIKey is RZHUOQFOIVXVOJ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-16-8-10-17(11-9-16)24(29)26-20-7-5-4-6-19(20)25-27(23(28)15-32-25)21-14-18(30-2)12-13-22(21)31-3/h4-14,25H,15H2,1-3H3,(H,26,29)/t25-/m1/s1.
What are the key properties of N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide?
N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide has a molecular weight of 448.54 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 93127988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).