1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C24H31N3O4S — CID 55508575

About 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55508575) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
• PubChem CID: 55508575
• Molecular Formula: C24H31N3O4S
• Molecular Weight: 457.60 g/mol
• Exact Mass: 457.20
• IUPAC Name: 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
• SMILES: COc1cccc(C(CNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)N2CCCC2)c1
• InChI: InChI=1S/C24H31N3O4S/c1-17-13-20-15-22(9-10-23(20)27(17)18(2)28)32(29,30)25-16-24(26-11-4-5-12-26)19-7-6-8-21(14-19)31-3/h6-10,14-15,17,24-25H,4-5,11-13,16H2,1-3H3
• InChIKey: JPBGWVGHQDUWQI-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.60
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?

The IUPAC name of 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 55508575) is 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?

The canonical SMILES for 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is COc1cccc(C(CNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)N2CCCC2)c1.

What is the InChIKey of 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?

The InChIKey is JPBGWVGHQDUWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-17-13-20-15-22(9-10-23(20)27(17)18(2)28)32(29,30)25-16-24(26-11-4-5-12-26)19-7-6-8-21(14-19)31-3/h6-10,14-15,17,24-25H,4-5,11-13,16H2,1-3H3.

What are the key properties of 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?

1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 457.60 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55508575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).