N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide

C32H39N5O4S — CID 141426569

About N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide

N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide (PubChem CID 141426569) has the molecular formula C32H39N5O4S and a molecular weight of 589.76 g/mol. Its IUPAC name is N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide
• PubChem CID: 141426569
• Molecular Formula: C32H39N5O4S
• Molecular Weight: 589.76 g/mol
• Exact Mass: 589.27
• IUPAC Name: N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1cccc(CN2CN(c3ccccc3)C3(CCN(CCCN4c5ccccc5CC4O)CC3)C2=O)c1
• InChI: InChI=1S/C32H39N5O4S/c1-42(40,41)33-27-11-7-9-25(21-27)23-35-24-37(28-12-3-2-4-13-28)32(31(35)39)15-19-34(20-16-32)17-8-18-36-29-14-6-5-10-26(29)22-30(36)38/h2-7,9-14,21,30,33,38H,8,15-20,22-24H2,1H3
• InChIKey: GTEBXRZWWTXPTB-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 96.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.76
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide?

The IUPAC name of N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide (CID 141426569) is N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide?

The canonical SMILES for N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CN2CN(c3ccccc3)C3(CCN(CCCN4c5ccccc5CC4O)CC3)C2=O)c1.

What is the InChIKey of N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide?

The InChIKey is GTEBXRZWWTXPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O4S/c1-42(40,41)33-27-11-7-9-25(21-27)23-35-24-37(28-12-3-2-4-13-28)32(31(35)39)15-19-34(20-16-32)17-8-18-36-29-14-6-5-10-26(29)22-30(36)38/h2-7,9-14,21,30,33,38H,8,15-20,22-24H2,1H3.

What are the key properties of N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide?

N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 589.76 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[8-[3-(2-hydroxy-2,3-dihydroindol-1-yl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 141426569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).