N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide

C28H22N2O2S — CID 16583758

IUPACN-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1SCc1ccccc1
InChIInChI=1S/C28H22N2O2S/c31-27(29-23-14-6-9-17-26(23)33-19-20-10-2-1-3-11-20)18-30-24-15-7-4-12-21(24)28(32)22-13-5-8-16-25(22)30/h1-17H,18-19H2,(H,29,31)
InChIKeyUHOZASVOUYHKJZ-UHFFFAOYSA-N
MW450.56 g/mol
LogP6.09
Rot. Bonds6

About N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide

N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 16583758) has the molecular formula C28H22N2O2S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID16583758
Molecular FormulaC28H22N2O2S
Molecular Weight450.56 g/mol
Exact Mass450.14
IUPAC NameN-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1SCc1ccccc1
InChIInChI=1S/C28H22N2O2S/c31-27(29-23-14-6-9-17-26(23)33-19-20-10-2-1-3-11-20)18-30-24-15-7-4-12-21(24)28(32)22-13-5-8-16-25(22)30/h1-17H,18-19H2,(H,29,31)
InChIKeyUHOZASVOUYHKJZ-UHFFFAOYSA-N
XLogP6.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 56.09
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-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
N-(2-benzylsulfanylphenyl)-2-morpholin-4-ylacetamide
CID 9033759
2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 34563069
2-(9-oxoacridin-10-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16583770
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
N-(1-ethyl-4-oxo-3-pyridinyl)-2-(9-oxoacridin-10-yl)acetamide
CID 91646643
tert-butyl N-methyl-N-[[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]methyl]carbamate
CID 47082214
2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 1273809
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide
CID 9033852
N-(2-benzylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 9027350
N'-methyl-2-(9-oxoacridin-10-yl)-N'-phenylacetohydrazide
CID 25332872

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide (CID 16583758) is N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1SCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is UHOZASVOUYHKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2S/c31-27(29-23-14-6-9-17-26(23)33-19-20-10-2-1-3-11-20)18-30-24-15-7-4-12-21(24)28(32)22-13-5-8-16-25(22)30/h1-17H,18-19H2,(H,29,31).
What are the key properties of N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide?
N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 450.56 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 16583758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).