N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide

C16H16IN3O5S — CID 2199663

IUPACN-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16IN3O5S/c1-11-3-8-14(20(22)23)9-15(11)19(26(2,24)25)10-16(21)18-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyJZKAUBLIRGBTEK-UHFFFAOYSA-N
MW489.29 g/mol
LogP2.91
Rot. Bonds6

About N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide

N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide (PubChem CID 2199663) has the molecular formula C16H16IN3O5S and a molecular weight of 489.29 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
PubChem CID2199663
Molecular FormulaC16H16IN3O5S
Molecular Weight489.29 g/mol
Exact Mass488.99
IUPAC NameN-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16IN3O5S/c1-11-3-8-14(20(22)23)9-15(11)19(26(2,24)25)10-16(21)18-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyJZKAUBLIRGBTEK-UHFFFAOYSA-N
XLogP2.91
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)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-(4-fluorophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 53280872
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
CID 2874689
2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-propan-2-ylacetamide
CID 19061940
N-(2,3-dimethylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 2948916
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzamide
CID 53282470
N-(3-methoxypropyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 53280945
2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100553935
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94013151
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 126131361
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide
CID 2224817

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide?
The IUPAC name of N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide (CID 2199663) is N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide is Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide?
The InChIKey is JZKAUBLIRGBTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O5S/c1-11-3-8-14(20(22)23)9-15(11)19(26(2,24)25)10-16(21)18-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide?
N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide has a molecular weight of 489.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide is sourced from PubChem (CID 2199663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).