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

C23H21N3O5S — CID 30041609

IUPACN-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C23H21N3O5S/c1-25(31-2)32(29,30)17-13-11-16(12-14-17)24-22(27)15-26-20-9-5-3-7-18(20)23(28)19-8-4-6-10-21(19)26/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyXFXJETNZUPIPGJ-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.98
Rot. Bonds6

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

N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 30041609) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID30041609
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C23H21N3O5S/c1-25(31-2)32(29,30)17-13-11-16(12-14-17)24-22(27)15-26-20-9-5-3-7-18(20)23(28)19-8-4-6-10-21(19)26/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyXFXJETNZUPIPGJ-UHFFFAOYSA-N
XLogP2.98
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24555151
3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide
CID 55840369
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide
CID 46823749
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 51339146
N-[(4-acetamidophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 18154273
3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide
CID 17406671
2-(2-methoxy-9-oxoacridin-10-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 6616693
N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16583698
N-[4-(1H-imidazol-2-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60613296
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16583700

Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide (CID 30041609) is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide is CON(C)S(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is XFXJETNZUPIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-25(31-2)32(29,30)17-13-11-16(12-14-17)24-22(27)15-26-20-9-5-3-7-18(20)23(28)19-8-4-6-10-21(19)26/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 451.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 30041609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).