2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

C16H16N2O2S2 — CID 41176869

IUPAC2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CN1CCSC1=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C16H16N2O2S2/c19-14(11-18-8-10-22-16(18)20)17-15(13-7-4-9-21-13)12-5-2-1-3-6-12/h1-7,9,15H,8,10-11H2,(H,17,19)/t15-/m0/s1
InChIKeyMBRILMVDYVSBHX-HNNXBMFYSA-N
MW332.45 g/mol
LogP3.12
Rot. Bonds5

About 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 41176869) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID41176869
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CN1CCSC1=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C16H16N2O2S2/c19-14(11-18-8-10-22-16(18)20)17-15(13-7-4-9-21-13)12-5-2-1-3-6-12/h1-7,9,15H,8,10-11H2,(H,17,19)/t15-/m0/s1
InChIKeyMBRILMVDYVSBHX-HNNXBMFYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18166415
(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367826
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46613984
2-[4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]-N-phenylacetamide
CID 166192323
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682430
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392
2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549245
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9089962
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8581331
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627443

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (CID 41176869) is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is O=C(CN1CCSC1=O)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is MBRILMVDYVSBHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c19-14(11-18-8-10-22-16(18)20)17-15(13-7-4-9-21-13)12-5-2-1-3-6-12/h1-7,9,15H,8,10-11H2,(H,17,19)/t15-/m0/s1.
What are the key properties of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 41176869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).