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

C30H32N2O3S — CID 24825407

IUPACN-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1
InChIInChI=1S/C30H32N2O3S/c1-2-3-4-10-22-16-18-24(19-17-22)36(33,34)31-20-9-13-26-25-12-6-7-14-27(25)32-30(26)29-21-23-11-5-8-15-28(23)35-29/h5-8,11-12,14-19,21,31-32H,2-4,9-10,13,20H2,1H3
InChIKeyNIXVPRZGLWPRBU-UHFFFAOYSA-N
MW500.66 g/mol
LogP7.22
Rot. Bonds11

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

N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide (PubChem CID 24825407) has the molecular formula C30H32N2O3S and a molecular weight of 500.66 g/mol. Its IUPAC name is N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide
PubChem CID24825407
Molecular FormulaC30H32N2O3S
Molecular Weight500.66 g/mol
Exact Mass500.21
IUPAC NameN-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1
InChIInChI=1S/C30H32N2O3S/c1-2-3-4-10-22-16-18-24(19-17-22)36(33,34)31-20-9-13-26-25-12-6-7-14-27(25)32-30(26)29-21-23-11-5-8-15-28(23)35-29/h5-8,11-12,14-19,21,31-32H,2-4,9-10,13,20H2,1H3
InChIKeyNIXVPRZGLWPRBU-UHFFFAOYSA-N
XLogP7.22
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.66
LogP ≤ 57.22
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide (CID 24825407) is N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide?
The InChIKey is NIXVPRZGLWPRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3S/c1-2-3-4-10-22-16-18-24(19-17-22)36(33,34)31-20-9-13-26-25-12-6-7-14-27(25)32-30(26)29-21-23-11-5-8-15-28(23)35-29/h5-8,11-12,14-19,21,31-32H,2-4,9-10,13,20H2,1H3.
What are the key properties of N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide?
N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide has a molecular weight of 500.66 g/mol, XLogP of 7.22, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).