2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H23N3O4S — CID 9482769

About 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 9482769) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 9482769
• Molecular Formula: C21H23N3O4S
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.14
• IUPAC Name: 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: COc1ccc2cc(CN(C)C(=O)CSCC(=O)Nc3cc(C)on3)ccc2c1
• InChI: InChI=1S/C21H23N3O4S/c1-14-8-19(23-28-14)22-20(25)12-29-13-21(26)24(2)11-15-4-5-17-10-18(27-3)7-6-16(17)9-15/h4-10H,11-13H2,1-3H3,(H,22,23,25)
• InChIKey: GIYXICZJUGFDMJ-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.50
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 9482769) is 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc2cc(CN(C)C(=O)CSCC(=O)Nc3cc(C)on3)ccc2c1.

What is the InChIKey of 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is GIYXICZJUGFDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-14-8-19(23-28-14)22-20(25)12-29-13-21(26)24(2)11-15-4-5-17-10-18(27-3)7-6-16(17)9-15/h4-10H,11-13H2,1-3H3,(H,22,23,25).

What are the key properties of 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 413.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 9482769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).