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

C27H21FN2O2S — CID 93127402

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

N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 93127402) has the molecular formula C27H21FN2O2S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
• PubChem CID: 93127402
• Molecular Formula: C27H21FN2O2S
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.13
• IUPAC Name: N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
• SMILES: Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2cccc3ccccc23)c1
• InChI: InChI=1S/C27H21FN2O2S/c1-17-23(28)13-6-14-24(17)30-25(31)16-33-27(30)19-9-4-10-20(15-19)29-26(32)22-12-5-8-18-7-2-3-11-21(18)22/h2-15,27H,16H2,1H3,(H,29,32)/t27-/m1/s1
• InChIKey: SARANDHXGSOROM-HHHXNRCGSA-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-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide?

The IUPAC name of N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide (CID 93127402) is N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide.

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

The canonical SMILES for N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide is Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2cccc3ccccc23)c1.

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

The InChIKey is SARANDHXGSOROM-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H21FN2O2S/c1-17-23(28)13-6-14-24(17)30-25(31)16-33-27(30)19-9-4-10-20(15-19)29-26(32)22-12-5-8-18-7-2-3-11-21(18)22/h2-15,27H,16H2,1H3,(H,29,32)/t27-/m1/s1.

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

N-[3-[(2R)-3-(3-fluoro-2-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-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 93127402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).