[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C24H20N2O5S — CID 30911191

IUPAC[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1
InChIInChI=1S/C24H20N2O5S/c1-15(27)25-12-16-10-11-22(32-16)21(28)14-31-23(29)13-26-19-8-4-2-6-17(19)24(30)18-7-3-5-9-20(18)26/h2-11H,12-14H2,1H3,(H,25,27)
InChIKeyYIACLDOWNSBMRB-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.28
Rot. Bonds7

About [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 30911191) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID30911191
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1
InChIInChI=1S/C24H20N2O5S/c1-15(27)25-12-16-10-11-22(32-16)21(28)14-31-23(29)13-26-19-8-4-2-6-17(19)24(30)18-7-3-5-9-20(18)26/h2-11H,12-14H2,1H3,(H,25,27)
InChIKeyYIACLDOWNSBMRB-UHFFFAOYSA-N
XLogP3.28
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8521287
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8521613
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 8522827
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 8510072
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 46567433
[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587190
[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587341
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612576
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612511
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520271
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728933

Frequently Asked Questions

What is the IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 30911191) is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is CC(=O)NCc1ccc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1.
What is the InChIKey of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is YIACLDOWNSBMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-15(27)25-12-16-10-11-22(32-16)21(28)14-31-23(29)13-26-19-8-4-2-6-17(19)24(30)18-7-3-5-9-20(18)26/h2-11H,12-14H2,1H3,(H,25,27).
What are the key properties of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 448.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 30911191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).