2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole

C31H19NO4S — CID 141073701

IUPAC2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole
SMILESc1coc(-c2ccc3oc(C4Oc5ccccc5O4)c(-c4cc5ccccc5[nH]4)c3c2-c2cccs2)c1
InChIInChI=1S/C31H19NO4S/c1-2-8-20-18(7-1)17-21(32-20)28-29-25(34-30(28)31-35-23-9-3-4-10-24(23)36-31)14-13-19(22-11-5-15-33-22)27(29)26-12-6-16-37-26/h1-17,31-32H
InChIKeyMVAFJNOODMNTDY-UHFFFAOYSA-N
MW501.56 g/mol
LogP9.04
Rot. Bonds4

About 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole

2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole (PubChem CID 141073701) has the molecular formula C31H19NO4S and a molecular weight of 501.56 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole
PubChem CID141073701
Molecular FormulaC31H19NO4S
Molecular Weight501.56 g/mol
Exact Mass501.10
IUPAC Name2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole
SMILESc1coc(-c2ccc3oc(C4Oc5ccccc5O4)c(-c4cc5ccccc5[nH]4)c3c2-c2cccs2)c1
InChIInChI=1S/C31H19NO4S/c1-2-8-20-18(7-1)17-21(32-20)28-29-25(34-30(28)31-35-23-9-3-4-10-24(23)36-31)14-13-19(22-11-5-15-33-22)27(29)26-12-6-16-37-26/h1-17,31-32H
InChIKeyMVAFJNOODMNTDY-UHFFFAOYSA-N
XLogP9.04
TPSA60.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole 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 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole?
The IUPAC name of 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole (CID 141073701) is 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole?
The canonical SMILES for 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole is c1coc(-c2ccc3oc(C4Oc5ccccc5O4)c(-c4cc5ccccc5[nH]4)c3c2-c2cccs2)c1.
What is the InChIKey of 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole?
The InChIKey is MVAFJNOODMNTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NO4S/c1-2-8-20-18(7-1)17-21(32-20)28-29-25(34-30(28)31-35-23-9-3-4-10-24(23)36-31)14-13-19(22-11-5-15-33-22)27(29)26-12-6-16-37-26/h1-17,31-32H.
What are the key properties of 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole?
2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole has a molecular weight of 501.56 g/mol, XLogP of 9.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-2-yl)-5-(furan-2-yl)-4-thiophen-2-yl-1-benzofuran-3-yl]-1H-indole is sourced from PubChem (CID 141073701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).