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

C24H24N2O3S — CID 30396915

IUPAC4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C24H24N2O3S/c1-2-21(17-7-4-3-5-8-17)25-23(28)18-10-12-19(13-11-18)24-26(22(27)16-30-24)15-20-9-6-14-29-20/h3-14,21,24H,2,15-16H2,1H3,(H,25,28)/t21-,24-/m0/s1
InChIKeyUPOFCPBIGKRWGD-URXFXBBRSA-N
MW420.53 g/mol
LogP4.93
Rot. Bonds7

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

4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide (PubChem CID 30396915) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide
PubChem CID30396915
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C24H24N2O3S/c1-2-21(17-7-4-3-5-8-17)25-23(28)18-10-12-19(13-11-18)24-26(22(27)16-30-24)15-20-9-6-14-29-20/h3-14,21,24H,2,15-16H2,1H3,(H,25,28)/t21-,24-/m0/s1
InChIKeyUPOFCPBIGKRWGD-URXFXBBRSA-N
XLogP4.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-phenylpropyl]benzamide
CID 30396912
4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide
CID 46771532
N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 7423535
N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 92675168
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 46772057
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 11837036
4-[(2S)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 94016146
N-[(2-chlorophenyl)methyl]-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 3883772
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide
CID 41066332
4-[(2S)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 28575054

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide?
The IUPAC name of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide (CID 30396915) is 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide?
The canonical SMILES for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide is CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1.
What is the InChIKey of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide?
The InChIKey is UPOFCPBIGKRWGD-URXFXBBRSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-2-21(17-7-4-3-5-8-17)25-23(28)18-10-12-19(13-11-18)24-26(22(27)16-30-24)15-20-9-6-14-29-20/h3-14,21,24H,2,15-16H2,1H3,(H,25,28)/t21-,24-/m0/s1.
What are the key properties of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide?
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide has a molecular weight of 420.53 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 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide is sourced from PubChem (CID 30396915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).