1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide

C29H35N3O4S — CID 91141326

About 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide

1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide (PubChem CID 91141326) has the molecular formula C29H35N3O4S and a molecular weight of 521.68 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide
• PubChem CID: 91141326
• Molecular Formula: C29H35N3O4S
• Molecular Weight: 521.68 g/mol
• Exact Mass: 521.23
• IUPAC Name: 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2CC(C(=O)NCCCN3CCCCC3C)c3ccccc32)c2ccccc12
• InChI: InChI=1S/C29H35N3O4S/c1-21-10-7-8-18-31(21)19-9-17-30-29(33)25-20-32(26-14-6-5-11-22(25)26)37(34,35)28-16-15-27(36-2)23-12-3-4-13-24(23)28/h3-6,11-16,21,25H,7-10,17-20H2,1-2H3,(H,30,33)
• InChIKey: VTTNUYCYJMLRFC-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.68
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide?

The IUPAC name of 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide (CID 91141326) is 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide.

What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide?

The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide is COc1ccc(S(=O)(=O)N2CC(C(=O)NCCCN3CCCCC3C)c3ccccc32)c2ccccc12.

What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide?

The InChIKey is VTTNUYCYJMLRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4S/c1-21-10-7-8-18-31(21)19-9-17-30-29(33)25-20-32(26-14-6-5-11-22(25)26)37(34,35)28-16-15-27(36-2)23-12-3-4-13-24(23)28/h3-6,11-16,21,25H,7-10,17-20H2,1-2H3,(H,30,33).

What are the key properties of 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide?

1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide has a molecular weight of 521.68 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxynaphthalen-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 91141326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).