3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide

C26H29N3O2S — CID 110089958

About 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide

3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 110089958) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
• PubChem CID: 110089958
• Molecular Formula: C26H29N3O2S
• Molecular Weight: 447.60 g/mol
• Exact Mass: 447.20
• IUPAC Name: 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
• SMILES: CCc1cccc2c(CN3CCOC(c4c(C(=O)NC)sc5ccccc45)C3)cn(C)c12
• InChI: InChI=1S/C26H29N3O2S/c1-4-17-8-7-10-19-18(14-28(3)24(17)19)15-29-12-13-31-21(16-29)23-20-9-5-6-11-22(20)32-25(23)26(30)27-2/h5-11,14,21H,4,12-13,15-16H2,1-3H3,(H,27,30)
• InChIKey: SULWZDOJZPUQQO-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.60
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?

The IUPAC name of 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide (CID 110089958) is 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?

The canonical SMILES for 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide is CCc1cccc2c(CN3CCOC(c4c(C(=O)NC)sc5ccccc45)C3)cn(C)c12.

What is the InChIKey of 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?

The InChIKey is SULWZDOJZPUQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-4-17-8-7-10-19-18(14-28(3)24(17)19)15-29-12-13-31-21(16-29)23-20-9-5-6-11-22(20)32-25(23)26(30)27-2/h5-11,14,21H,4,12-13,15-16H2,1-3H3,(H,27,30).

What are the key properties of 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?

3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110089958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).