N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide

C29H24N2O2S — CID 16583700

IUPACN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)cc1C
InChIInChI=1S/C29H24N2O2S/c1-19-11-14-23(17-20(19)2)34-22-15-12-21(13-16-22)30-28(32)18-31-26-9-5-3-7-24(26)29(33)25-8-4-6-10-27(25)31/h3-17H,18H2,1-2H3,(H,30,32)
InChIKeyJHUBCKGXMPPOJC-UHFFFAOYSA-N
MW464.59 g/mol
LogP6.56
Rot. Bonds5

About N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide

N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 16583700) has the molecular formula C29H24N2O2S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID16583700
Molecular FormulaC29H24N2O2S
Molecular Weight464.59 g/mol
Exact Mass464.16
IUPAC NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)cc1C
InChIInChI=1S/C29H24N2O2S/c1-19-11-14-23(17-20(19)2)34-22-15-12-21(13-16-22)30-28(32)18-31-26-9-5-3-7-24(26)29(33)25-8-4-6-10-27(25)31/h3-17H,18H2,1-2H3,(H,30,32)
InChIKeyJHUBCKGXMPPOJC-UHFFFAOYSA-N
XLogP6.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide
CID 17488047
N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 26053126
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
N-[(4-acetamidophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 18154273
N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16583698
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 18230089
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 51339146
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 30041609

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide (CID 16583700) is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide is Cc1ccc(Sc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is JHUBCKGXMPPOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2S/c1-19-11-14-23(17-20(19)2)34-22-15-12-21(13-16-22)30-28(32)18-31-26-9-5-3-7-24(26)29(33)25-8-4-6-10-27(25)31/h3-17H,18H2,1-2H3,(H,30,32).
What are the key properties of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 464.59 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 16583700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).