2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide

C30H24N2O5S — CID 66642037

IUPAC2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccccc1CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C30H24N2O5S/c33-28(31-12-11-20-7-5-13-38-20)21-8-2-1-6-19(21)16-32-24-10-4-3-9-22(24)30(29(32)34)17-35-25-15-27-26(14-23(25)30)36-18-37-27/h1-10,13-15H,11-12,16-18H2,(H,31,33)
InChIKeyBOAYHPZNZUCYKV-UHFFFAOYSA-N
MW524.60 g/mol
LogP4.67
Rot. Bonds6

About 2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide

2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 66642037) has the molecular formula C30H24N2O5S and a molecular weight of 524.60 g/mol. Its IUPAC name is 2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID66642037
Molecular FormulaC30H24N2O5S
Molecular Weight524.60 g/mol
Exact Mass524.14
IUPAC Name2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccccc1CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C30H24N2O5S/c33-28(31-12-11-20-7-5-13-38-20)21-8-2-1-6-19(21)16-32-24-10-4-3-9-22(24)30(29(32)34)17-35-25-15-27-26(14-23(25)30)36-18-37-27/h1-10,13-15H,11-12,16-18H2,(H,31,33)
InChIKeyBOAYHPZNZUCYKV-UHFFFAOYSA-N
XLogP4.67
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11999047
N-ethyl-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641924
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
N-[(4-methoxyphenyl)methyl]-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642010
N-(2,6-dimethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642075
N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641991
N-(3-chlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641898
2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide
CID 66642460
N-[2-(4-chlorophenyl)ethyl]-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642087
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide
CID 66642553
1'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642174

Frequently Asked Questions

What is the IUPAC name of 2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 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) is 2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1ccccc1CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21.
What is the InChIKey of 2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is BOAYHPZNZUCYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5S/c33-28(31-12-11-20-7-5-13-38-20)21-8-2-1-6-19(21)16-32-24-10-4-3-9-22(24)30(29(32)34)17-35-25-15-27-26(14-23(25)30)36-18-37-27/h1-10,13-15H,11-12,16-18H2,(H,31,33).
What are the key properties of 2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide?
2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 524.60 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 66642037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).