ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate

C23H29N3O6S2 — CID 69361063

About ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate

ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate (PubChem CID 69361063) has the molecular formula C23H29N3O6S2 and a molecular weight of 507.63 g/mol. Its IUPAC name is ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate
• PubChem CID: 69361063
• Molecular Formula: C23H29N3O6S2
• Molecular Weight: 507.63 g/mol
• Exact Mass: 507.15
• IUPAC Name: ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate
• SMILES: CCOC(=O)CN(Cc1cccc(OCCc2nc(-c3cccs3)oc2C)c1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C23H29N3O6S2/c1-5-30-22(27)16-26(34(28,29)25(3)4)15-18-8-6-9-19(14-18)31-12-11-20-17(2)32-23(24-20)21-10-7-13-33-21/h6-10,13-14H,5,11-12,15-16H2,1-4H3
• InChIKey: YWEIQMLXKKOCIK-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 102.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.63
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate?

The IUPAC name of ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate (CID 69361063) is ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate.

What is the SMILES notation for ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate?

The canonical SMILES for ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate is CCOC(=O)CN(Cc1cccc(OCCc2nc(-c3cccs3)oc2C)c1)S(=O)(=O)N(C)C.

What is the InChIKey of ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate?

The InChIKey is YWEIQMLXKKOCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S2/c1-5-30-22(27)16-26(34(28,29)25(3)4)15-18-8-6-9-19(14-18)31-12-11-20-17(2)32-23(24-20)21-10-7-13-33-21/h6-10,13-14H,5,11-12,15-16H2,1-4H3.

What are the key properties of ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate?

ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate has a molecular weight of 507.63 g/mol, XLogP of 3.50, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate is sourced from PubChem (CID 69361063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).