2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone

C22H24N2O3S — CID 50899586

IUPAC2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCc1cc2cc(C(=O)c3cccc4c3OCC4)sc2n1CCN1CCOCC1
InChIInChI=1S/C22H24N2O3S/c1-15-13-17-14-19(20(25)18-4-2-3-16-5-10-27-21(16)18)28-22(17)24(15)7-6-23-8-11-26-12-9-23/h2-4,13-14H,5-12H2,1H3
InChIKeyVYYGAYNDGWRDMX-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.51
Rot. Bonds5

About 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone

2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (PubChem CID 50899586) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
PubChem CID50899586
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCc1cc2cc(C(=O)c3cccc4c3OCC4)sc2n1CCN1CCOCC1
InChIInChI=1S/C22H24N2O3S/c1-15-13-17-14-19(20(25)18-4-2-3-16-5-10-27-21(16)18)28-22(17)24(15)7-6-23-8-11-26-12-9-23/h2-4,13-14H,5-12H2,1H3
InChIKeyVYYGAYNDGWRDMX-UHFFFAOYSA-N
XLogP3.51
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (CID 50899586) is 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is Cc1cc2cc(C(=O)c3cccc4c3OCC4)sc2n1CCN1CCOCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The InChIKey is VYYGAYNDGWRDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15-13-17-14-19(20(25)18-4-2-3-16-5-10-27-21(16)18)28-22(17)24(15)7-6-23-8-11-26-12-9-23/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone has a molecular weight of 396.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is sourced from PubChem (CID 50899586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).