5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide

C30H30N2O3S — CID 58832011

About 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide

5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide (PubChem CID 58832011) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide.

Molecular Properties

• Compound Name: 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide
• PubChem CID: 58832011
• Molecular Formula: C30H30N2O3S
• Molecular Weight: 498.65 g/mol
• Exact Mass: 498.20
• IUPAC Name: 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide
• SMILES: CCCOc1ccc(-c2csc3ccccc23)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12
• InChI: InChI=1S/C30H30N2O3S/c1-3-14-35-28-13-12-20(26-19-36-29-11-7-5-9-24(26)29)16-25(28)30(34)31-22(18-33)15-21-17-32(2)27-10-6-4-8-23(21)27/h4-13,16-17,19,22,33H,3,14-15,18H2,1-2H3,(H,31,34)/t22-/m1/s1
• InChIKey: CFLRDVWJUGGLPR-JOCHJYFZSA-N
• XLogP: 6.18
• TPSA: 63.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.65
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?

The IUPAC name of 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide (CID 58832011) is 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide.

What is the SMILES notation for 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?

The canonical SMILES for 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide is CCCOc1ccc(-c2csc3ccccc23)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12.

What is the InChIKey of 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?

The InChIKey is CFLRDVWJUGGLPR-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H30N2O3S/c1-3-14-35-28-13-12-20(26-19-36-29-11-7-5-9-24(26)29)16-25(28)30(34)31-22(18-33)15-21-17-32(2)27-10-6-4-8-23(21)27/h4-13,16-17,19,22,33H,3,14-15,18H2,1-2H3,(H,31,34)/t22-/m1/s1.

What are the key properties of 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?

5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide has a molecular weight of 498.65 g/mol, XLogP of 6.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide is sourced from PubChem (CID 58832011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).