3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C22H24N2O4S — CID 20938140

About 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 20938140) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

• Compound Name: 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
• PubChem CID: 20938140
• Molecular Formula: C22H24N2O4S
• Molecular Weight: 412.51 g/mol
• Exact Mass: 412.15
• IUPAC Name: 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
• SMILES: CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3cccc4c3CCCC4)ccc21
• InChI: InChI=1S/C22H24N2O4S/c1-24-20-10-9-17(13-16(20)14-22(24)26)29(27,28)12-11-21(25)23-19-8-4-6-15-5-2-3-7-18(15)19/h4,6,8-10,13H,2-3,5,7,11-12,14H2,1H3,(H,23,25)
• InChIKey: JUURJGMPNVDYMY-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.51
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?

The IUPAC name of 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 20938140) is 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

What is the SMILES notation for 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?

The canonical SMILES for 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3cccc4c3CCCC4)ccc21.

What is the InChIKey of 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?

The InChIKey is JUURJGMPNVDYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-24-20-10-9-17(13-16(20)14-22(24)26)29(27,28)12-11-21(25)23-19-8-4-6-15-5-2-3-7-18(15)19/h4,6,8-10,13H,2-3,5,7,11-12,14H2,1H3,(H,23,25).

What are the key properties of 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?

3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 412.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 20938140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).