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

C26H24N2O4S — CID 93127208

IUPAC(2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1)c1ccccc1
InChIInChI=1S/C26H24N2O4S/c1-2-21(17-7-4-3-5-8-17)25(30)27-19-10-6-9-18(13-19)26-28(24(29)15-33-26)20-11-12-22-23(14-20)32-16-31-22/h3-14,21,26H,2,15-16H2,1H3,(H,27,30)/t21-,26-/m1/s1
InChIKeyQRQCWQUXFGYAFF-QFQXNSOFSA-N
MW460.56 g/mol
LogP5.33
Rot. Bonds6

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

(2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide (PubChem CID 93127208) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
PubChem CID93127208
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name(2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1)c1ccccc1
InChIInChI=1S/C26H24N2O4S/c1-2-21(17-7-4-3-5-8-17)25(30)27-19-10-6-9-18(13-19)26-28(24(29)15-33-26)20-11-12-22-23(14-20)32-16-31-22/h3-14,21,26H,2,15-16H2,1H3,(H,27,30)/t21-,26-/m1/s1
InChIKeyQRQCWQUXFGYAFF-QFQXNSOFSA-N
XLogP5.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93127857
N-[3-[3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide
CID 42667093
(2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93127138
N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 93125057
N-[3-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127190
N-[3-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide
CID 93127212
(2S)-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93126927
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 42806131
(2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide
CID 93125033
(2S)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide
CID 93125034
N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
CID 42667095
(2S)-N-[4-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93127504

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide (CID 93127208) is (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide?
The InChIKey is QRQCWQUXFGYAFF-QFQXNSOFSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-2-21(17-7-4-3-5-8-17)25(30)27-19-10-6-9-18(13-19)26-28(24(29)15-33-26)20-11-12-22-23(14-20)32-16-31-22/h3-14,21,26H,2,15-16H2,1H3,(H,27,30)/t21-,26-/m1/s1.
What are the key properties of (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide?
(2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide has a molecular weight of 460.56 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 93127208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).