3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C30H26N2O4S — CID 69431515

About 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 69431515) has the molecular formula C30H26N2O4S and a molecular weight of 510.62 g/mol. Its IUPAC name is 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
• PubChem CID: 69431515
• Molecular Formula: C30H26N2O4S
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.16
• IUPAC Name: 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
• SMILES: CNS(=O)(=O)c1ccc2c(c1)C(C1C(Cc3c(OC)ccc4ccccc34)=Cc3ccccc31)C(=O)N2
• InChI: InChI=1S/C30H26N2O4S/c1-31-37(34,35)21-12-13-26-25(17-21)29(30(33)32-26)28-20(15-19-8-4-6-10-23(19)28)16-24-22-9-5-3-7-18(22)11-14-27(24)36-2/h3-15,17,28-29,31H,16H2,1-2H3,(H,32,33)
• InChIKey: CLIQVYSUFZTEAT-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?

The IUPAC name of 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 69431515) is 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?

The canonical SMILES for 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)C(C1C(Cc3c(OC)ccc4ccccc34)=Cc3ccccc31)C(=O)N2.

What is the InChIKey of 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?

The InChIKey is CLIQVYSUFZTEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4S/c1-31-37(34,35)21-12-13-26-25(17-21)29(30(33)32-26)28-20(15-19-8-4-6-10-23(19)28)16-24-22-9-5-3-7-18(22)11-14-27(24)36-2/h3-15,17,28-29,31H,16H2,1-2H3,(H,32,33).

What are the key properties of 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?

3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 510.62 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 69431515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).