2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide

C22H21IN2O3S — CID 1361630

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H21IN2O3S/c1-16-8-13-21(17(2)14-16)25(29(27,28)20-6-4-3-5-7-20)15-22(26)24-19-11-9-18(23)10-12-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyYAAHNBKXMOYCLP-UHFFFAOYSA-N
MW520.39 g/mol
LogP4.74
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide (PubChem CID 1361630) has the molecular formula C22H21IN2O3S and a molecular weight of 520.39 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
PubChem CID1361630
Molecular FormulaC22H21IN2O3S
Molecular Weight520.39 g/mol
Exact Mass520.03
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H21IN2O3S/c1-16-8-13-21(17(2)14-16)25(29(27,28)20-6-4-3-5-7-20)15-22(26)24-19-11-9-18(23)10-12-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyYAAHNBKXMOYCLP-UHFFFAOYSA-N
XLogP4.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)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-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126181644
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylphenyl)acetamide
CID 30173912
methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate
CID 21371915
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 30170549
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126177951
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide (CID 1361630) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide?
The InChIKey is YAAHNBKXMOYCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O3S/c1-16-8-13-21(17(2)14-16)25(29(27,28)20-6-4-3-5-7-20)15-22(26)24-19-11-9-18(23)10-12-19/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide has a molecular weight of 520.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 1361630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).