2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide

C14H18N2O2S — CID 9089962

IUPAC2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CN1CCSC1=O)c1ccccc1
InChIInChI=1S/C14H18N2O2S/c1-11(12-5-3-2-4-6-12)9-15-13(17)10-16-7-8-19-14(16)18/h2-6,11H,7-10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyHUCJGTVWSFOZGQ-NSHDSACASA-N
MW278.38 g/mol
LogP2.08
Rot. Bonds5

About 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide

2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 9089962) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID9089962
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CN1CCSC1=O)c1ccccc1
InChIInChI=1S/C14H18N2O2S/c1-11(12-5-3-2-4-6-12)9-15-13(17)10-16-7-8-19-14(16)18/h2-6,11H,7-10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyHUCJGTVWSFOZGQ-NSHDSACASA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diphenylpropyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18093818
(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367826
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 32925892
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51114475
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41176869
N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18166415
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119504103
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
CID 9075405
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 30635957
methyl 4-[[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]benzoate
CID 18106696

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide (CID 9089962) is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide is C[C@@H](CNC(=O)CN1CCSC1=O)c1ccccc1.
What is the InChIKey of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is HUCJGTVWSFOZGQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11(12-5-3-2-4-6-12)9-15-13(17)10-16-7-8-19-14(16)18/h2-6,11H,7-10H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 9089962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).