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

C30H33N3O6S — CID 69361787

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

ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate (PubChem CID 69361787) has the molecular formula C30H33N3O6S and a molecular weight of 563.68 g/mol. Its IUPAC name is ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate
• PubChem CID: 69361787
• Molecular Formula: C30H33N3O6S
• Molecular Weight: 563.68 g/mol
• Exact Mass: 563.21
• IUPAC Name: ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate
• SMILES: CCOC(=O)CN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(=O)(=O)N(C)c1ccccc1
• InChI: InChI=1S/C30H33N3O6S/c1-4-37-29(34)22-33(40(35,36)32(3)26-15-9-6-10-16-26)21-24-12-11-17-27(20-24)38-19-18-28-23(2)39-30(31-28)25-13-7-5-8-14-25/h5-17,20H,4,18-19,21-22H2,1-3H3
• InChIKey: ORDIULSMJMVVBJ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 102.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.68
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate (CID 69361787) is ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate.

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

The canonical SMILES for ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate is CCOC(=O)CN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(=O)(=O)N(C)c1ccccc1.

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

The InChIKey is ORDIULSMJMVVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O6S/c1-4-37-29(34)22-33(40(35,36)32(3)26-15-9-6-10-16-26)21-24-12-11-17-27(20-24)38-19-18-28-23(2)39-30(31-28)25-13-7-5-8-14-25/h5-17,20H,4,18-19,21-22H2,1-3H3.

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

ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate has a molecular weight of 563.68 g/mol, XLogP of 5.02, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate is sourced from PubChem (CID 69361787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).