2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C32H27N3O2 — CID 118710008

IUPAC2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C32H27N3O2/c36-31(33-18-17-25-21-34-28-15-8-7-14-26(25)28)22-35-29(24-12-5-2-6-13-24)20-27(23-10-3-1-4-11-23)32(35)30-16-9-19-37-30/h1-16,19-21,34H,17-18,22H2,(H,33,36)
InChIKeyKHKAJRLLKHVJRX-UHFFFAOYSA-N
MW485.59 g/mol
LogP6.92
Rot. Bonds8

About 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 118710008) has the molecular formula C32H27N3O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID118710008
Molecular FormulaC32H27N3O2
Molecular Weight485.59 g/mol
Exact Mass485.21
IUPAC Name2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C32H27N3O2/c36-31(33-18-17-25-21-34-28-15-8-7-14-26(25)28)22-35-29(24-12-5-2-6-13-24)20-27(23-10-3-1-4-11-23)32(35)30-16-9-19-37-30/h1-16,19-21,34H,17-18,22H2,(H,33,36)
InChIKeyKHKAJRLLKHVJRX-UHFFFAOYSA-N
XLogP6.92
TPSA62.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 118710008) is 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is KHKAJRLLKHVJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O2/c36-31(33-18-17-25-21-34-28-15-8-7-14-26(25)28)22-35-29(24-12-5-2-6-13-24)20-27(23-10-3-1-4-11-23)32(35)30-16-9-19-37-30/h1-16,19-21,34H,17-18,22H2,(H,33,36).
What are the key properties of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 485.59 g/mol, XLogP of 6.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 118710008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).