[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

C24H21NO5S — CID 24526969

IUPAC[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)s1
InChIInChI=1S/C24H21NO5S/c1-15(26)25-11-10-18-7-9-22(31-18)20(27)14-30-23(28)12-17-13-29-21-8-6-16-4-2-3-5-19(16)24(17)21/h2-9,13H,10-12,14H2,1H3,(H,25,26)
InChIKeySEUVNUUBOYERSQ-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.29
Rot. Bonds8

About [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 24526969) has the molecular formula C24H21NO5S and a molecular weight of 435.50 g/mol. Its IUPAC name is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID24526969
Molecular FormulaC24H21NO5S
Molecular Weight435.50 g/mol
Exact Mass435.11
IUPAC Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)s1
InChIInChI=1S/C24H21NO5S/c1-15(26)25-11-10-18-7-9-22(31-18)20(27)14-30-23(28)12-17-13-29-21-8-6-16-4-2-3-5-19(16)24(17)21/h2-9,13H,10-12,14H2,1H3,(H,25,26)
InChIKeySEUVNUUBOYERSQ-UHFFFAOYSA-N
XLogP4.29
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate with MolForge

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 46645081
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-methylbenzoate
CID 27312891
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55995068
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46645647
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 24526984
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18229368
4-O-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 27352967
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
CID 7901833

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (CID 24526969) is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is CC(=O)NCCc1ccc(C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)s1.
What is the InChIKey of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is SEUVNUUBOYERSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5S/c1-15(26)25-11-10-18-7-9-22(31-18)20(27)14-30-23(28)12-17-13-29-21-8-6-16-4-2-3-5-19(16)24(17)21/h2-9,13H,10-12,14H2,1H3,(H,25,26).
What are the key properties of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 435.50 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 24526969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).