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

C18H18N2O2S — CID 42804052

IUPACN-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2S/c1-2-16(21)19-14-10-8-13(9-11-14)18-20(17(22)12-23-18)15-6-4-3-5-7-15/h3-11,18H,2,12H2,1H3,(H,19,21)
InChIKeyGOXRMOYIORUESH-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.81
Rot. Bonds4

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

N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide (PubChem CID 42804052) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
PubChem CID42804052
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2S/c1-2-16(21)19-14-10-8-13(9-11-14)18-20(17(22)12-23-18)15-6-4-3-5-7-15/h3-11,18H,2,12H2,1H3,(H,19,21)
InChIKeyGOXRMOYIORUESH-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 24715605
N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42807105
N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 46132819
(E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 42804068
4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93123921
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804066
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 71956466
N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 93126441
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
CID 93127787
(2S)-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93126927

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide?
The IUPAC name of N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide (CID 42804052) is N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide is CCC(=O)Nc1ccc(C2SCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide?
The InChIKey is GOXRMOYIORUESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-16(21)19-14-10-8-13(9-11-14)18-20(17(22)12-23-18)15-6-4-3-5-7-15/h3-11,18H,2,12H2,1H3,(H,19,21).
What are the key properties of N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide?
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide has a molecular weight of 326.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 42804052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).