N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide

C24H22N2O4S — CID 30044158

IUPACN-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H22N2O4S/c1-16(17-11-13-18(14-12-17)31(2,29)30)25-23(27)15-26-21-9-5-3-7-19(21)24(28)20-8-4-6-10-22(20)26/h3-14,16H,15H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyBNYCRZJDHTXXRV-MRXNPFEDSA-N
MW434.52 g/mol
LogP3.44
Rot. Bonds5

About N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 30044158) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID30044158
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H22N2O4S/c1-16(17-11-13-18(14-12-17)31(2,29)30)25-23(27)15-26-21-9-5-3-7-19(21)24(28)20-8-4-6-10-22(20)26/h3-14,16H,15H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyBNYCRZJDHTXXRV-MRXNPFEDSA-N
XLogP3.44
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134051234
N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504
N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25337144
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55502933
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088
2-(azocan-1-yl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 125442415
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 4839889
2-(2-fluorophenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247307

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 30044158) is N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide is C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is BNYCRZJDHTXXRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16(17-11-13-18(14-12-17)31(2,29)30)25-23(27)15-26-21-9-5-3-7-19(21)24(28)20-8-4-6-10-22(20)26/h3-14,16H,15H2,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 30044158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).