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

C25H23FN2O3S — CID 90676023

IUPACN-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCOc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C25H23FN2O3S/c1-31-22-8-3-2-7-21(22)28-23(29)16-32-25(28)19-6-4-5-18(15-19)24(30)27-14-13-17-9-11-20(26)12-10-17/h2-12,15,25H,13-14,16H2,1H3,(H,27,30)
InChIKeyHBIATTSUUUTPIK-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.59
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (PubChem CID 90676023) has the molecular formula C25H23FN2O3S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
PubChem CID90676023
Molecular FormulaC25H23FN2O3S
Molecular Weight450.54 g/mol
Exact Mass450.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCOc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C25H23FN2O3S/c1-31-22-8-3-2-7-21(22)28-23(29)16-32-25(28)19-6-4-5-18(15-19)24(30)27-14-13-17-9-11-20(26)12-10-17/h2-12,15,25H,13-14,16H2,1H3,(H,27,30)
InChIKeyHBIATTSUUUTPIK-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (CID 90676023) is N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is COc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is HBIATTSUUUTPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3S/c1-31-22-8-3-2-7-21(22)28-23(29)16-32-25(28)19-6-4-5-18(15-19)24(30)27-14-13-17-9-11-20(26)12-10-17/h2-12,15,25H,13-14,16H2,1H3,(H,27,30).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 90676023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).