N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide

C26H24N2O2S — CID 93126441

IUPACN-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C26H24N2O2S/c29-24(15-18-5-2-1-3-6-18)27-22-12-9-20(10-13-22)26-28(25(30)17-31-26)23-14-11-19-7-4-8-21(19)16-23/h1-3,5-6,9-14,16,26H,4,7-8,15,17H2,(H,27,29)/t26-/m1/s1
InChIKeyYQQAHYZBDUJMAX-AREMUKBSSA-N
MW428.56 g/mol
LogP5.14
Rot. Bonds5

About N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide

N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (PubChem CID 93126441) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
PubChem CID93126441
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC NameN-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C26H24N2O2S/c29-24(15-18-5-2-1-3-6-18)27-22-12-9-20(10-13-22)26-28(25(30)17-31-26)23-14-11-19-7-4-8-21(19)16-23/h1-3,5-6,9-14,16,26H,4,7-8,15,17H2,(H,27,29)/t26-/m1/s1
InChIKeyYQQAHYZBDUJMAX-AREMUKBSSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide
CID 93126491
N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 46132819
4-butyl-N-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126490
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
CID 42804052
N-[4-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 42806226
N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 93005213
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 24715605
N-[3-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
CID 42806172
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
(E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 42804068
N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 42804083

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (CID 93126441) is N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?
The InChIKey is YQQAHYZBDUJMAX-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24N2O2S/c29-24(15-18-5-2-1-3-6-18)27-22-12-9-20(10-13-22)26-28(25(30)17-31-26)23-14-11-19-7-4-8-21(19)16-23/h1-3,5-6,9-14,16,26H,4,7-8,15,17H2,(H,27,29)/t26-/m1/s1.
What are the key properties of N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?
N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 428.56 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 93126441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).