2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide

C21H19IN2O4S — CID 23968246

IUPAC2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(I)cc1
InChIInChI=1S/C21H19IN2O4S/c1-29(26,27)24(18-11-7-16(22)8-12-18)15-21(25)23-17-9-13-20(14-10-17)28-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,25)
InChIKeyRVEPJHCYHCIFLX-UHFFFAOYSA-N
MW522.36 g/mol
LogP4.49
Rot. Bonds7

About 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide

2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide (PubChem CID 23968246) has the molecular formula C21H19IN2O4S and a molecular weight of 522.36 g/mol. Its IUPAC name is 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
PubChem CID23968246
Molecular FormulaC21H19IN2O4S
Molecular Weight522.36 g/mol
Exact Mass522.01
IUPAC Name2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(I)cc1
InChIInChI=1S/C21H19IN2O4S/c1-29(26,27)24(18-11-7-16(22)8-12-18)15-21(25)23-17-9-13-20(14-10-17)28-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,25)
InChIKeyRVEPJHCYHCIFLX-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-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2281663
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1363234
N-(4-phenoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260344
N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1097920
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30169097

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide (CID 23968246) is 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is RVEPJHCYHCIFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19IN2O4S/c1-29(26,27)24(18-11-7-16(22)8-12-18)15-21(25)23-17-9-13-20(14-10-17)28-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)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 2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 23968246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).