2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide

C13H12N2O3S2 — CID 124632022

IUPAC2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C(=O)[C@H]1SC(=S)NC1=O)c1ccccc1
InChIInChI=1S/C13H12N2O3S2/c1-7(8-5-3-2-4-6-8)14-11(17)9(16)10-12(18)15-13(19)20-10/h2-7,10H,1H3,(H,14,17)(H,15,18,19)/t7-,10+/m0/s1
InChIKeyGSQHZOIFZZDYIS-OIBJUYFYSA-N
MW308.38 g/mol
LogP0.95
Rot. Bonds4

About 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide

2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 124632022) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID124632022
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC Name2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C(=O)[C@H]1SC(=S)NC1=O)c1ccccc1
InChIInChI=1S/C13H12N2O3S2/c1-7(8-5-3-2-4-6-8)14-11(17)9(16)10-12(18)15-13(19)20-10/h2-7,10H,1H3,(H,14,17)(H,15,18,19)/t7-,10+/m0/s1
InChIKeyGSQHZOIFZZDYIS-OIBJUYFYSA-N
XLogP0.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 124632025
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N,N'-bis[(1S)-1-phenylethyl]ethanedithioamide
CID 101046425
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide
CID 82121215
(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 716253
[(1R)-1-phenylethyl]thiourea
CID 696701
1-phenylethylcarbamodithioic acid
CID 3032776
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
(Z)-3-methyl-4-oxo-4-(1-phenylethylamino)but-2-enoic acid
CID 56726263
2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide
CID 63589427

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 124632022) is 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)C(=O)[C@H]1SC(=S)NC1=O)c1ccccc1.
What is the InChIKey of 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is GSQHZOIFZZDYIS-OIBJUYFYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c1-7(8-5-3-2-4-6-8)14-11(17)9(16)10-12(18)15-13(19)20-10/h2-7,10H,1H3,(H,14,17)(H,15,18,19)/t7-,10+/m0/s1.
What are the key properties of 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 124632022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).