N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide

C24H23N3O4S — CID 16609928

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H23N3O4S/c1-25-32(30,31)16-18-12-10-17(11-13-18)14-26-23(28)15-27-21-8-4-2-6-19(21)24(29)20-7-3-5-9-22(20)27/h2-13,25H,14-16H2,1H3,(H,26,28)
InChIKeyHHENARBIMKZVHT-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.52
Rot. Bonds7

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 16609928) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID16609928
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H23N3O4S/c1-25-32(30,31)16-18-12-10-17(11-13-18)14-26-23(28)15-27-21-8-4-2-6-19(21)24(29)20-7-3-5-9-22(20)27/h2-13,25H,14-16H2,1H3,(H,26,28)
InChIKeyHHENARBIMKZVHT-UHFFFAOYSA-N
XLogP2.52
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.52
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

2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134051518
N-[(4-acetamidophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 18154273
2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 29288985
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617
N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide
CID 15994556
N-[2-(diethylamino)propyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46433015
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612576
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 35837981
1-benzyl-2-methyl-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110953648

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide (CID 16609928) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide is CNS(=O)(=O)Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is HHENARBIMKZVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-25-32(30,31)16-18-12-10-17(11-13-18)14-26-23(28)15-27-21-8-4-2-6-19(21)24(29)20-7-3-5-9-22(20)27/h2-13,25H,14-16H2,1H3,(H,26,28).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 449.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 16609928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).