N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide

C29H24N2O4S — CID 10368570

About N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide

N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide (PubChem CID 10368570) has the molecular formula C29H24N2O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
• PubChem CID: 10368570
• Molecular Formula: C29H24N2O4S
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.15
• IUPAC Name: N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
• SMILES: CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1cc2ccccc2cc1O
• InChI: InChI=1S/C29H24N2O4S/c1-31(28(34)24-15-22-6-2-3-7-23(22)16-25(24)32)17-19-5-4-8-21(13-19)20-11-9-18(10-12-20)14-26-27(33)30-29(35)36-26/h2-13,15-16,26,32H,14,17H2,1H3,(H,30,33,35)
• InChIKey: FEABOKUGIXTQQV-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide?

The IUPAC name of N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide (CID 10368570) is N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide.

What is the SMILES notation for N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide?

The canonical SMILES for N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide is CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1cc2ccccc2cc1O.

What is the InChIKey of N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide?

The InChIKey is FEABOKUGIXTQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4S/c1-31(28(34)24-15-22-6-2-3-7-23(22)16-25(24)32)17-19-5-4-8-21(13-19)20-11-9-18(10-12-20)14-26-27(33)30-29(35)36-26/h2-13,15-16,26,32H,14,17H2,1H3,(H,30,33,35).

What are the key properties of N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide?

N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 10368570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).