N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

C17H18IN3O4S — CID 2942786

IUPACN-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18IN3O4S/c1-12(22)19-14-5-7-15(8-6-14)20-17(23)11-21(26(2,24)25)16-9-3-13(18)4-10-16/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLZBZKUORTWUTCJ-UHFFFAOYSA-N
MW487.32 g/mol
LogP2.65
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (PubChem CID 2942786) has the molecular formula C17H18IN3O4S and a molecular weight of 487.32 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
PubChem CID2942786
Molecular FormulaC17H18IN3O4S
Molecular Weight487.32 g/mol
Exact Mass487.01
IUPAC NameN-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18IN3O4S/c1-12(22)19-14-5-7-15(8-6-14)20-17(23)11-21(26(2,24)25)16-9-3-13(18)4-10-16/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLZBZKUORTWUTCJ-UHFFFAOYSA-N
XLogP2.65
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)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

2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
2-(4-acetamido-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 113155828
N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2208111
2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2194266
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153931

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (CID 2942786) is N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is CC(=O)Nc1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The InChIKey is LZBZKUORTWUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18IN3O4S/c1-12(22)19-14-5-7-15(8-6-14)20-17(23)11-21(26(2,24)25)16-9-3-13(18)4-10-16/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide has a molecular weight of 487.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2942786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).