2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide

C26H31N3O4S — CID 27655911

About 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide

2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide (PubChem CID 27655911) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
• PubChem CID: 27655911
• Molecular Formula: C26H31N3O4S
• Molecular Weight: 481.62 g/mol
• Exact Mass: 481.20
• IUPAC Name: 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
• SMILES: CCOc1ccccc1NC(=O)CSc1cn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc12
• InChI: InChI=1S/C26H31N3O4S/c1-4-32-23-12-8-6-10-21(23)27-25(30)17-34-24-15-28(22-11-7-5-9-20(22)24)16-26(31)29-13-18(2)33-19(3)14-29/h5-12,15,18-19H,4,13-14,16-17H2,1-3H3,(H,27,30)/t18-,19-/m0/s1
• InChIKey: QDXCRLMLIDXOII-OALUTQOASA-N
• XLogP: 4.41
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.62
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?

The IUPAC name of 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide (CID 27655911) is 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide.

What is the SMILES notation for 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?

The canonical SMILES for 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSc1cn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc12.

What is the InChIKey of 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?

The InChIKey is QDXCRLMLIDXOII-OALUTQOASA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-4-32-23-12-8-6-10-21(23)27-25(30)17-34-24-15-28(22-11-7-5-9-20(22)24)16-26(31)29-13-18(2)33-19(3)14-29/h5-12,15,18-19H,4,13-14,16-17H2,1-3H3,(H,27,30)/t18-,19-/m0/s1.

What are the key properties of 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?

2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide has a molecular weight of 481.62 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 27655911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).