N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

C17H19IN2O4S — CID 1302977

IUPACN-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(I)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C17H19IN2O4S/c1-12-9-13(18)7-8-16(12)19-17(21)11-20(25(3,22)23)14-5-4-6-15(10-14)24-2/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyNKQQSRUYGYVHDI-UHFFFAOYSA-N
MW474.32 g/mol
LogP3.01
Rot. Bonds6

About N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1302977) has the molecular formula C17H19IN2O4S and a molecular weight of 474.32 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID1302977
Molecular FormulaC17H19IN2O4S
Molecular Weight474.32 g/mol
Exact Mass474.01
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(I)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C17H19IN2O4S/c1-12-9-13(18)7-8-16(12)19-17(21)11-20(25(3,22)23)14-5-4-6-15(10-14)24-2/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyNKQQSRUYGYVHDI-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

N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1306853
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
methyl 2-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1097999
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139283
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 1243031
N-(2,6-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 21372888
N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 3554676
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 43899916
2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 982515
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 1317158

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (CID 1302977) is N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide is COc1cccc(N(CC(=O)Nc2ccc(I)cc2C)S(C)(=O)=O)c1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is NKQQSRUYGYVHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O4S/c1-12-9-13(18)7-8-16(12)19-17(21)11-20(25(3,22)23)14-5-4-6-15(10-14)24-2/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-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-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1302977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).