N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide

C30H25FN2O2S — CID 42667095

IUPACN-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
SMILESCc1c(F)cccc1N1C(=O)CSC1c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H25FN2O2S/c1-20-25(31)16-9-17-26(20)33-27(34)19-36-30(33)23-14-8-15-24(18-23)32-29(35)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-18,28,30H,19H2,1H3,(H,32,35)
InChIKeyNWFOHTOHSWRPNU-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.68
Rot. Bonds6

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

N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide (PubChem CID 42667095) has the molecular formula C30H25FN2O2S and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
PubChem CID42667095
Molecular FormulaC30H25FN2O2S
Molecular Weight496.61 g/mol
Exact Mass496.16
IUPAC NameN-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
SMILESCc1c(F)cccc1N1C(=O)CSC1c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H25FN2O2S/c1-20-25(31)16-9-17-26(20)33-27(34)19-36-30(33)23-14-8-15-24(18-23)32-29(35)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-18,28,30H,19H2,1H3,(H,32,35)
InChIKeyNWFOHTOHSWRPNU-UHFFFAOYSA-N
XLogP6.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide (CID 42667095) is N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide is Cc1c(F)cccc1N1C(=O)CSC1c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide?
The InChIKey is NWFOHTOHSWRPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN2O2S/c1-20-25(31)16-9-17-26(20)33-27(34)19-36-30(33)23-14-8-15-24(18-23)32-29(35)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-18,28,30H,19H2,1H3,(H,32,35).
What are the key properties of N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide?
N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide has a molecular weight of 496.61 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 42667095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).