N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

C31H29N3O5S2 — CID 126190058

About N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (PubChem CID 126190058) has the molecular formula C31H29N3O5S2 and a molecular weight of 587.72 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
• PubChem CID: 126190058
• Molecular Formula: C31H29N3O5S2
• Molecular Weight: 587.72 g/mol
• Exact Mass: 587.15
• IUPAC Name: N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
• SMILES: COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C31H29N3O5S2/c1-39-27-15-11-26(12-16-27)33-41(37,38)28-17-13-25(14-18-28)32-30(36)23-7-9-24(10-8-23)31-34(29(35)21-40-31)20-19-22-5-3-2-4-6-22/h2-18,31,33H,19-21H2,1H3,(H,32,36)/t31-/m1/s1
• InChIKey: URZFIQMKADEIAB-WJOKGBTCSA-N
• XLogP: 5.57
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.72
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?

The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (CID 126190058) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?

The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?

The InChIKey is URZFIQMKADEIAB-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H29N3O5S2/c1-39-27-15-11-26(12-16-27)33-41(37,38)28-17-13-25(14-18-28)32-30(36)23-7-9-24(10-8-23)31-34(29(35)21-40-31)20-19-22-5-3-2-4-6-22/h2-18,31,33H,19-21H2,1H3,(H,32,36)/t31-/m1/s1.

What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 587.72 g/mol, XLogP of 5.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 126190058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).