2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

C23H21N3O4S — CID 134051234

IUPAC2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C23H21N3O4S/c1-15(16-7-6-8-17(13-16)31(24,29)30)25-22(27)14-26-20-11-4-2-9-18(20)23(28)19-10-3-5-12-21(19)26/h2-13,15H,14H2,1H3,(H,25,27)(H2,24,29,30)
InChIKeyXOJSRKLJXBYDIO-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.68
Rot. Bonds5

About 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (PubChem CID 134051234) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
PubChem CID134051234
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C23H21N3O4S/c1-15(16-7-6-8-17(13-16)31(24,29)30)25-22(27)14-26-20-11-4-2-9-18(20)23(28)19-10-3-5-12-21(19)26/h2-13,15H,14H2,1H3,(H,25,27)(H2,24,29,30)
InChIKeyXOJSRKLJXBYDIO-UHFFFAOYSA-N
XLogP2.68
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 30044158
2-(2-phenylindol-1-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 55396627
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55502933
N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25337144
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 167857934
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (CID 134051234) is 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is CC(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is XOJSRKLJXBYDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-15(16-7-6-8-17(13-16)31(24,29)30)25-22(27)14-26-20-11-4-2-9-18(20)23(28)19-10-3-5-12-21(19)26/h2-13,15H,14H2,1H3,(H,25,27)(H2,24,29,30).
What are the key properties of 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 435.51 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 134051234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).