N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide

C20H21FN2O3S — CID 78604248

IUPACN-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCOc1ccccc1C1SCC(=O)N1CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3S/c1-26-17-5-3-2-4-16(17)20-23(19(25)13-27-20)11-10-18(24)22-12-14-6-8-15(21)9-7-14/h2-9,20H,10-13H2,1H3,(H,22,24)
InChIKeyOZNFXNOYJLEUEO-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.11
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide (PubChem CID 78604248) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
PubChem CID78604248
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCOc1ccccc1C1SCC(=O)N1CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3S/c1-26-17-5-3-2-4-16(17)20-23(19(25)13-27-20)11-10-18(24)22-12-14-6-8-15(21)9-7-14/h2-9,20H,10-13H2,1H3,(H,22,24)
InChIKeyOZNFXNOYJLEUEO-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide (CID 78604248) is N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide is COc1ccccc1C1SCC(=O)N1CCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The InChIKey is OZNFXNOYJLEUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-26-17-5-3-2-4-16(17)20-23(19(25)13-27-20)11-10-18(24)22-12-14-6-8-15(21)9-7-14/h2-9,20H,10-13H2,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide has a molecular weight of 388.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide is sourced from PubChem (CID 78604248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).