N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide

C21H18N2O2S2 — CID 42804083

IUPACN-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(C2SCC(=O)N2c2ccccc2)c1
InChIInChI=1S/C21H18N2O2S2/c24-19(13-18-10-5-11-26-18)22-16-7-4-6-15(12-16)21-23(20(25)14-27-21)17-8-2-1-3-9-17/h1-12,21H,13-14H2,(H,22,24)
InChIKeyCQKAWVMVMXHZBQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.71
Rot. Bonds5

About N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 42804083) has the molecular formula C21H18N2O2S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID42804083
Molecular FormulaC21H18N2O2S2
Molecular Weight394.52 g/mol
Exact Mass394.08
IUPAC NameN-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(C2SCC(=O)N2c2ccccc2)c1
InChIInChI=1S/C21H18N2O2S2/c24-19(13-18-10-5-11-26-18)22-16-7-4-6-15(12-16)21-23(20(25)14-27-21)17-8-2-1-3-9-17/h1-12,21H,13-14H2,(H,22,24)
InChIKeyCQKAWVMVMXHZBQ-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 93125029
N-[3-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 93127232
2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 93127005
2-methyl-N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804082
N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide
CID 42804699
N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide
CID 93125038
N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 93127994
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
CID 42804052
N-[3-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127627
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methoxyacetamide
CID 42805294
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 42806131
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide
CID 42806134

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 42804083) is N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cccc(C2SCC(=O)N2c2ccccc2)c1.
What is the InChIKey of N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is CQKAWVMVMXHZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S2/c24-19(13-18-10-5-11-26-18)22-16-7-4-6-15(12-16)21-23(20(25)14-27-21)17-8-2-1-3-9-17/h1-12,21H,13-14H2,(H,22,24).
What are the key properties of N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 394.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42804083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).