N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

C23H30N4O7S2 — CID 18561436

About N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 18561436) has the molecular formula C23H30N4O7S2 and a molecular weight of 538.65 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

• Compound Name: N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
• PubChem CID: 18561436
• Molecular Formula: C23H30N4O7S2
• Molecular Weight: 538.65 g/mol
• Exact Mass: 538.16
• IUPAC Name: N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
• SMILES: Cc1cc(C)c(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1
• InChI: InChI=1S/C23H30N4O7S2/c1-15-12-16(2)21(17(3)13-15)36(32,33)27-10-11-34-20(27)14-26-23(29)22(28)25-9-8-18-4-6-19(7-5-18)35(24,30)31/h4-7,12-13,20H,8-11,14H2,1-3H3,(H,25,28)(H,26,29)(H2,24,30,31)
• InChIKey: UIESDCBZYHPLHC-UHFFFAOYSA-N
• XLogP: 0.08
• TPSA: 164.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.65
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?

The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 18561436) is N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?

The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is Cc1cc(C)c(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1.

What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?

The InChIKey is UIESDCBZYHPLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O7S2/c1-15-12-16(2)21(17(3)13-15)36(32,33)27-10-11-34-20(27)14-26-23(29)22(28)25-9-8-18-4-6-19(7-5-18)35(24,30)31/h4-7,12-13,20H,8-11,14H2,1-3H3,(H,25,28)(H,26,29)(H2,24,30,31).

What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?

N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 538.65 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-sulfamoylphenyl)ethyl]-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 18561436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).