2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide

C16H17IN2O3S — CID 1315450

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccccc1
InChIInChI=1S/C16H17IN2O3S/c1-23(21,22)19(11-13-5-3-2-4-6-13)12-16(20)18-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyJBEMRHPJEKBTBO-UHFFFAOYSA-N
MW444.29 g/mol
LogP2.69
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide (PubChem CID 1315450) has the molecular formula C16H17IN2O3S and a molecular weight of 444.29 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
PubChem CID1315450
Molecular FormulaC16H17IN2O3S
Molecular Weight444.29 g/mol
Exact Mass444.00
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccccc1
InChIInChI=1S/C16H17IN2O3S/c1-23(21,22)19(11-13-5-3-2-4-6-13)12-16(20)18-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyJBEMRHPJEKBTBO-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[benzyl(methylsulfonyl)amino]-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-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 1209132
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 100557424
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[benzyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967333
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide (CID 1315450) is 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide?
The InChIKey is JBEMRHPJEKBTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O3S/c1-23(21,22)19(11-13-5-3-2-4-6-13)12-16(20)18-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide has a molecular weight of 444.29 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 1315450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).