N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

C17H19IN2O4S — CID 998382

IUPACN-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19IN2O4S/c1-12-4-9-16(24-2)15(10-12)20(25(3,22)23)11-17(21)19-14-7-5-13(18)6-8-14/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyLNSBJDKWYXFVLW-UHFFFAOYSA-N
MW474.32 g/mol
LogP3.01
Rot. Bonds6

About N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 998382) has the molecular formula C17H19IN2O4S and a molecular weight of 474.32 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
PubChem CID998382
Molecular FormulaC17H19IN2O4S
Molecular Weight474.32 g/mol
Exact Mass474.01
IUPAC NameN-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19IN2O4S/c1-12-4-9-16(24-2)15(10-12)20(25(3,22)23)11-17(21)19-14-7-5-13(18)6-8-14/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyLNSBJDKWYXFVLW-UHFFFAOYSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 21372378
N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2209494
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1095299
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 28589406
N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 1100061
ethyl 2-chloro-5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30398314
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120
N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
CID 1210617

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (CID 998382) is N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is COc1ccc(C)cc1N(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is LNSBJDKWYXFVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O4S/c1-12-4-9-16(24-2)15(10-12)20(25(3,22)23)11-17(21)19-14-7-5-13(18)6-8-14/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 474.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 998382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).