N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide

C29H30N2O3S — CID 11248759

IUPACN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1
InChIInChI=1S/C29H30N2O3S/c1-2-3-4-9-21-14-16-23(17-15-21)35(32,33)30-19-18-25-24-11-6-7-12-26(24)31-29(25)28-20-22-10-5-8-13-27(22)34-28/h5-8,10-17,20,30-31H,2-4,9,18-19H2,1H3
InChIKeyNAGWGZLQLARBPK-UHFFFAOYSA-N
MW486.64 g/mol
LogP6.83
Rot. Bonds10

About N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide

N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 11248759) has the molecular formula C29H30N2O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID11248759
Molecular FormulaC29H30N2O3S
Molecular Weight486.64 g/mol
Exact Mass486.20
IUPAC NameN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1
InChIInChI=1S/C29H30N2O3S/c1-2-3-4-9-21-14-16-23(17-15-21)35(32,33)30-19-18-25-24-11-6-7-12-26(24)31-29(25)28-20-22-10-5-8-13-27(22)34-28/h5-8,10-17,20,30-31H,2-4,9,18-19H2,1H3
InChIKeyNAGWGZLQLARBPK-UHFFFAOYSA-N
XLogP6.83
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide 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 N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide (CID 11248759) is N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is NAGWGZLQLARBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3S/c1-2-3-4-9-21-14-16-23(17-15-21)35(32,33)30-19-18-25-24-11-6-7-12-26(24)31-29(25)28-20-22-10-5-8-13-27(22)34-28/h5-8,10-17,20,30-31H,2-4,9,18-19H2,1H3.
What are the key properties of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 486.64 g/mol, XLogP of 6.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 11248759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).