4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C22H24N2O3S — CID 1071254

IUPAC4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O3S/c25-20-15-28-22(24(20)14-16-5-2-1-3-6-16)18-10-8-17(9-11-18)21(26)23-13-19-7-4-12-27-19/h1-3,5-6,8-11,19,22H,4,7,12-15H2,(H,23,26)/t19-,22+/m1/s1
InChIKeyVWHVVJPEIPHZPN-KNQAVFIVSA-N
MW396.51 g/mol
LogP3.37
Rot. Bonds6

About 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 1071254) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID1071254
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O3S/c25-20-15-28-22(24(20)14-16-5-2-1-3-6-16)18-10-8-17(9-11-18)21(26)23-13-19-7-4-12-27-19/h1-3,5-6,8-11,19,22H,4,7,12-15H2,(H,23,26)/t19-,22+/m1/s1
InChIKeyVWHVVJPEIPHZPN-KNQAVFIVSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentylbenzamide
CID 40560076
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopropylbenzamide
CID 1254009
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 5008223
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 1280635
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94019723
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentyl-N-methylbenzamide
CID 93486528
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4550261
4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide
CID 133164093
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126034363
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100500311
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 133244543

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 1071254) is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is VWHVVJPEIPHZPN-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-20-15-28-22(24(20)14-16-5-2-1-3-6-16)18-10-8-17(9-11-18)21(26)23-13-19-7-4-12-27-19/h1-3,5-6,8-11,19,22H,4,7,12-15H2,(H,23,26)/t19-,22+/m1/s1.
What are the key properties of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 396.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1071254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).