1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

C31H25NO4S — CID 153004893

IUPAC1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESO=C(CCc1cccs1)c1ccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)cc1
InChIInChI=1S/C31H25NO4S/c33-27(12-11-23-4-3-15-37-23)21-9-7-20(8-10-21)18-32-26-6-2-1-5-24(26)31(30(32)34)19-36-29-17-28-22(13-14-35-28)16-25(29)31/h1-10,15-17H,11-14,18-19H2
InChIKeyUYWUILPNXWOJME-UHFFFAOYSA-N
MW507.61 g/mol
LogP5.72
Rot. Bonds6

About 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (PubChem CID 153004893) has the molecular formula C31H25NO4S and a molecular weight of 507.61 g/mol. Its IUPAC name is 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
PubChem CID153004893
Molecular FormulaC31H25NO4S
Molecular Weight507.61 g/mol
Exact Mass507.15
IUPAC Name1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESO=C(CCc1cccs1)c1ccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)cc1
InChIInChI=1S/C31H25NO4S/c33-27(12-11-23-4-3-15-37-23)21-9-7-20(8-10-21)18-32-26-6-2-1-5-24(26)31(30(32)34)19-36-29-17-28-22(13-14-35-28)16-25(29)31/h1-10,15-17H,11-14,18-19H2
InChIKeyUYWUILPNXWOJME-UHFFFAOYSA-N
XLogP5.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one with MolForge

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Related Compounds

1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 162011273
N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide
CID 59352733
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
2-[3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]phenoxy]acetyl chloride
CID 87100165
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352498
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352151
3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide
CID 59352124
2-[3-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)propyl]isoindole-1,3-dione
CID 59352544
1'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352407
2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 66642037

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (CID 153004893) is 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is O=C(CCc1cccs1)c1ccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)cc1.
What is the InChIKey of 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The InChIKey is UYWUILPNXWOJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO4S/c33-27(12-11-23-4-3-15-37-23)21-9-7-20(8-10-21)18-32-26-6-2-1-5-24(26)31(30(32)34)19-36-29-17-28-22(13-14-35-28)16-25(29)31/h1-10,15-17H,11-14,18-19H2.
What are the key properties of 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one has a molecular weight of 507.61 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 153004893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).