N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide

C21H32N4O8S — CID 16807567

About N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 16807567) has the molecular formula C21H32N4O8S and a molecular weight of 500.57 g/mol. Its IUPAC name is N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

• Compound Name: N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
• PubChem CID: 16807567
• Molecular Formula: C21H32N4O8S
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.19
• IUPAC Name: N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
• SMILES: COc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCCN2CCOCC2)cc1OC
• InChI: InChI=1S/C21H32N4O8S/c1-30-17-5-4-16(14-18(17)31-2)34(28,29)25-10-13-33-19(25)15-23-21(27)20(26)22-6-3-7-24-8-11-32-12-9-24/h4-5,14,19H,3,6-13,15H2,1-2H3,(H,22,26)(H,23,27)
• InChIKey: UYCUZOCORHUCOP-UHFFFAOYSA-N
• XLogP: -0.99
• TPSA: 135.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	-0.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide?

The IUPAC name of N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide (CID 16807567) is N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide.

What is the SMILES notation for N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide?

The canonical SMILES for N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide is COc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCCN2CCOCC2)cc1OC.

What is the InChIKey of N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide?

The InChIKey is UYCUZOCORHUCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O8S/c1-30-17-5-4-16(14-18(17)31-2)34(28,29)25-10-13-33-19(25)15-23-21(27)20(26)22-6-3-7-24-8-11-32-12-9-24/h4-5,14,19H,3,6-13,15H2,1-2H3,(H,22,26)(H,23,27).

What are the key properties of N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide?

N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 500.57 g/mol, XLogP of -0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 16807567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).