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

C27H21FN2O2S — CID 93127960

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

N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 93127960) has the molecular formula C27H21FN2O2S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
• PubChem CID: 93127960
• Molecular Formula: C27H21FN2O2S
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.13
• IUPAC Name: N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
• SMILES: Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc4ccccc34)c2)cc1F
• InChI: InChI=1S/C27H21FN2O2S/c1-17-12-13-21(15-24(17)28)30-25(31)16-33-27(30)19-8-4-9-20(14-19)29-26(32)23-11-5-7-18-6-2-3-10-22(18)23/h2-15,27H,16H2,1H3,(H,29,32)/t27-/m0/s1
• InChIKey: GFMQPNFZJSTUPK-MHZLTWQESA-N
• XLogP: 6.32
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.54
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide?

The IUPAC name of N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide (CID 93127960) is N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide?

The canonical SMILES for N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide is Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc4ccccc34)c2)cc1F.

What is the InChIKey of N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide?

The InChIKey is GFMQPNFZJSTUPK-MHZLTWQESA-N. The full InChI is InChI=1S/C27H21FN2O2S/c1-17-12-13-21(15-24(17)28)30-25(31)16-33-27(30)19-8-4-9-20(14-19)29-26(32)23-11-5-7-18-6-2-3-10-22(18)23/h2-15,27H,16H2,1H3,(H,29,32)/t27-/m0/s1.

What are the key properties of N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide?

N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 93127960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).