2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide

C22H21IN2O3S — CID 1209132

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H21IN2O3S/c1-17-7-13-21(14-8-17)29(27,28)25(15-18-5-3-2-4-6-18)16-22(26)24-20-11-9-19(23)10-12-20/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyHZDQGNDDEYGVLS-UHFFFAOYSA-N
MW520.39 g/mol
LogP4.43
Rot. Bonds7

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide (PubChem CID 1209132) has the molecular formula C22H21IN2O3S and a molecular weight of 520.39 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
PubChem CID1209132
Molecular FormulaC22H21IN2O3S
Molecular Weight520.39 g/mol
Exact Mass520.03
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H21IN2O3S/c1-17-7-13-21(14-8-17)29(27,28)25(15-18-5-3-2-4-6-18)16-22(26)24-20-11-9-19(23)10-12-20/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyHZDQGNDDEYGVLS-UHFFFAOYSA-N
XLogP4.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[benzyl-(4-methylphenyl)sulfonylamino]-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-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
ethyl 2-[4-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100789939
2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 45374154
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
CID 126068032
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
N-(4-acetamidophenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083352
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 3114020
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
ethyl 4-[[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 1333816
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 1324652

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide (CID 1209132) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is HZDQGNDDEYGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O3S/c1-17-7-13-21(14-8-17)29(27,28)25(15-18-5-3-2-4-6-18)16-22(26)24-20-11-9-19(23)10-12-20/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 520.39 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 1209132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).