2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide

C25H29N3O3S — CID 27603651

About 2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide

2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide (PubChem CID 27603651) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide
• PubChem CID: 27603651
• Molecular Formula: C25H29N3O3S
• Molecular Weight: 451.59 g/mol
• Exact Mass: 451.19
• IUPAC Name: 2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide
• SMILES: C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)N(C)c3ccccc3)c3ccccc32)C[C@@H](C)O1
• InChI: InChI=1S/C25H29N3O3S/c1-18-13-28(14-19(2)31-18)24(29)16-27-15-23(21-11-7-8-12-22(21)27)32-17-25(30)26(3)20-9-5-4-6-10-20/h4-12,15,18-19H,13-14,16-17H2,1-3H3/t18-,19-/m1/s1
• InChIKey: OCYQOGYNRWJNCW-RTBURBONSA-N
• XLogP: 4.03
• TPSA: 54.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.59
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide (CID 27603651) is 2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide.

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

The canonical SMILES for 2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide is C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)N(C)c3ccccc3)c3ccccc32)C[C@@H](C)O1.

What is the InChIKey of 2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide?

The InChIKey is OCYQOGYNRWJNCW-RTBURBONSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-18-13-28(14-19(2)31-18)24(29)16-27-15-23(21-11-7-8-12-22(21)27)32-17-25(30)26(3)20-9-5-4-6-10-20/h4-12,15,18-19H,13-14,16-17H2,1-3H3/t18-,19-/m1/s1.

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

2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide has a molecular weight of 451.59 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide is sourced from PubChem (CID 27603651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).