1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide

C22H27N5O4S — CID 3244323

IUPAC1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C22H27N5O4S/c1-17(28)27-11-8-18-16-19(5-6-20(18)27)32(30,31)24-10-7-22(29)26-14-12-25(13-15-26)21-4-2-3-9-23-21/h2-6,9,16,24H,7-8,10-15H2,1H3
InChIKeySKJDRRNMVWGRRS-UHFFFAOYSA-N
MW457.56 g/mol
LogP1.01
Rot. Bonds6

About 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 3244323) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID3244323
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC Name1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C22H27N5O4S/c1-17(28)27-11-8-18-16-19(5-6-20(18)27)32(30,31)24-10-7-22(29)26-14-12-25(13-15-26)21-4-2-3-9-23-21/h2-6,9,16,24H,7-8,10-15H2,1H3
InChIKeySKJDRRNMVWGRRS-UHFFFAOYSA-N
XLogP1.01
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide (CID 3244323) is 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21.
What is the InChIKey of 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is SKJDRRNMVWGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-17(28)27-11-8-18-16-19(5-6-20(18)27)32(30,31)24-10-7-22(29)26-14-12-25(13-15-26)21-4-2-3-9-23-21/h2-6,9,16,24H,7-8,10-15H2,1H3.
What are the key properties of 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 457.56 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3244323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).