N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide

C25H24N2O3S — CID 42804699

IUPACN-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide
SMILESCc1ccc(N2C(=O)CSC2c2cccc(NC(=O)COCc3ccccc3)c2)cc1
InChIInChI=1S/C25H24N2O3S/c1-18-10-12-22(13-11-18)27-24(29)17-31-25(27)20-8-5-9-21(14-20)26-23(28)16-30-15-19-6-3-2-4-7-19/h2-14,25H,15-17H2,1H3,(H,26,28)
InChIKeyDTMXKVANIJMBPG-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.93
Rot. Bonds7

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

N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide (PubChem CID 42804699) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide
PubChem CID42804699
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide
SMILESCc1ccc(N2C(=O)CSC2c2cccc(NC(=O)COCc3ccccc3)c2)cc1
InChIInChI=1S/C25H24N2O3S/c1-18-10-12-22(13-11-18)27-24(29)17-31-25(27)20-8-5-9-21(14-20)26-23(28)16-30-15-19-6-3-2-4-7-19/h2-14,25H,15-17H2,1H3,(H,26,28)
InChIKeyDTMXKVANIJMBPG-UHFFFAOYSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 93127994
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methoxyacetamide
CID 42805294
N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide
CID 93125038
2-chloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125328
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93125713
2-methyl-N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804082
N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 42804083
2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125330
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
CID 42805280
N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
CID 42804732
N-[3-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127627
ethyl 4-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]anilino]-4-oxobutanoate
CID 93125737

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide (CID 42804699) is N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide is Cc1ccc(N2C(=O)CSC2c2cccc(NC(=O)COCc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide?
The InChIKey is DTMXKVANIJMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-18-10-12-22(13-11-18)27-24(29)17-31-25(27)20-8-5-9-21(14-20)26-23(28)16-30-15-19-6-3-2-4-7-19/h2-14,25H,15-17H2,1H3,(H,26,28).
What are the key properties of N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide?
N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide has a molecular weight of 432.55 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 42804699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).