N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide

C20H28N4O5S — CID 3444758

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide (PubChem CID 3444758) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide
• PubChem CID: 3444758
• Molecular Formula: C20H28N4O5S
• Molecular Weight: 436.53 g/mol
• Exact Mass: 436.18
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide
• SMILES: Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)CC(=O)Nc2cc(C)on2)cc1
• InChI: InChI=1S/C20H28N4O5S/c1-16-4-6-18(7-5-16)30(26,27)24(9-3-8-23-10-12-28-13-11-23)15-20(25)21-19-14-17(2)29-22-19/h4-7,14H,3,8-13,15H2,1-2H3,(H,21,22,25)
• InChIKey: ADNVSONGWDITRW-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 104.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.53
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide (CID 3444758) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide is Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)CC(=O)Nc2cc(C)on2)cc1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide?

The InChIKey is ADNVSONGWDITRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-16-4-6-18(7-5-16)30(26,27)24(9-3-8-23-10-12-28-13-11-23)15-20(25)21-19-14-17(2)29-22-19/h4-7,14H,3,8-13,15H2,1-2H3,(H,21,22,25).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide has a molecular weight of 436.53 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide is sourced from PubChem (CID 3444758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).