4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide

C26H26N2O2S — CID 21372044

IUPAC4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H26N2O2S/c1-19(21-10-6-3-7-11-21)27-25(30)22-12-14-23(15-13-22)26-28(24(29)18-31-26)17-16-20-8-4-2-5-9-20/h2-15,19,26H,16-18H2,1H3,(H,27,30)/t19-,26?/m0/s1
InChIKeyRNVWCYNOEWJPIV-SXMXNQBWSA-N
MW430.57 g/mol
LogP4.99
Rot. Bonds7

About 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide

4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 21372044) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID21372044
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H26N2O2S/c1-19(21-10-6-3-7-11-21)27-25(30)22-12-14-23(15-13-22)26-28(24(29)18-31-26)17-16-20-8-4-2-5-9-20/h2-15,19,26H,16-18H2,1H3,(H,27,30)/t19-,26?/m0/s1
InChIKeyRNVWCYNOEWJPIV-SXMXNQBWSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide with MolForge

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 28633120
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 94020279
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 94018455
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94012941
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 46764264
2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 40736665
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92675049
N-(2-methoxyethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 3149481
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100561810
methyl 4-[[4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 982903
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92673208
N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126118506

Frequently Asked Questions

What is the IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide (CID 21372044) is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is RNVWCYNOEWJPIV-SXMXNQBWSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-19(21-10-6-3-7-11-21)27-25(30)22-12-14-23(15-13-22)26-28(24(29)18-31-26)17-16-20-8-4-2-5-9-20/h2-15,19,26H,16-18H2,1H3,(H,27,30)/t19-,26?/m0/s1.
What are the key properties of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide?
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 21372044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).