N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide

C26H19FN2O2S — CID 93127142

IUPACN-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H19FN2O2S/c27-19-7-4-8-21(15-19)29-24(30)16-32-26(29)18-11-13-20(14-12-18)28-25(31)23-10-3-6-17-5-1-2-9-22(17)23/h1-15,26H,16H2,(H,28,31)/t26-/m0/s1
InChIKeyZABDGPFVQZWQCG-SANMLTNESA-N
MW442.52 g/mol
LogP6.01
Rot. Bonds4

About N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide

N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 93127142) has the molecular formula C26H19FN2O2S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
PubChem CID93127142
Molecular FormulaC26H19FN2O2S
Molecular Weight442.52 g/mol
Exact Mass442.12
IUPAC NameN-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H19FN2O2S/c27-19-7-4-8-21(15-19)29-24(30)16-32-26(29)18-11-13-20(14-12-18)28-25(31)23-10-3-6-17-5-1-2-9-22(17)23/h1-15,26H,16H2,(H,28,31)/t26-/m0/s1
InChIKeyZABDGPFVQZWQCG-SANMLTNESA-N
XLogP6.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide (CID 93127142) is N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is ZABDGPFVQZWQCG-SANMLTNESA-N. The full InChI is InChI=1S/C26H19FN2O2S/c27-19-7-4-8-21(15-19)29-24(30)16-32-26(29)18-11-13-20(14-12-18)28-25(31)23-10-3-6-17-5-1-2-9-22(17)23/h1-15,26H,16H2,(H,28,31)/t26-/m0/s1.
What are the key properties of N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide?
N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 93127142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).