N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C19H27N3O4S — CID 113059002

About N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 113059002) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• PubChem CID: 113059002
• Molecular Formula: C19H27N3O4S
• Molecular Weight: 393.51 g/mol
• Exact Mass: 393.17
• IUPAC Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• SMILES: CC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)c1c(C)cccc1C(C)C
• InChI: InChI=1S/C19H27N3O4S/c1-12(2)17-9-7-8-13(3)18(17)22(16(6)23)11-10-20-27(24,25)19-14(4)21-26-15(19)5/h7-9,12,20H,10-11H2,1-6H3
• InChIKey: WAEHHFUPEKKKFN-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.51
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 113059002) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)c1c(C)cccc1C(C)C.

What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The InChIKey is WAEHHFUPEKKKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-12(2)17-9-7-8-13(3)18(17)22(16(6)23)11-10-20-27(24,25)19-14(4)21-26-15(19)5/h7-9,12,20H,10-11H2,1-6H3.

What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113059002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).