N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

C21H19IN2O4S — CID 43899457

IUPACN-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H19IN2O4S/c1-29(26,27)24(15-21(25)23-17-13-11-16(22)12-14-17)19-9-5-6-10-20(19)28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyVBZAZQBNJPAJTD-UHFFFAOYSA-N
MW522.36 g/mol
LogP4.49
Rot. Bonds7

About N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (PubChem CID 43899457) has the molecular formula C21H19IN2O4S and a molecular weight of 522.36 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
PubChem CID43899457
Molecular FormulaC21H19IN2O4S
Molecular Weight522.36 g/mol
Exact Mass522.01
IUPAC NameN-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H19IN2O4S/c1-29(26,27)24(15-21(25)23-17-13-11-16(22)12-14-17)19-9-5-6-10-20(19)28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyVBZAZQBNJPAJTD-UHFFFAOYSA-N
XLogP4.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.36
LogP ≤ 54.49
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-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1363234
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 30271434
2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
CID 30276893
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The IUPAC name of N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (CID 43899457) is N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The InChIKey is VBZAZQBNJPAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19IN2O4S/c1-29(26,27)24(15-21(25)23-17-13-11-16(22)12-14-17)19-9-5-6-10-20(19)28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide has a molecular weight of 522.36 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is sourced from PubChem (CID 43899457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).