2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide

C22H20FIN2O4S — CID 4997215

IUPAC2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FIN2O4S/c1-15-13-17(24)5-12-21(15)25-22(27)14-26(18-6-3-16(23)4-7-18)31(28,29)20-10-8-19(30-2)9-11-20/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyAEDPTLKQSUCYHC-UHFFFAOYSA-N
MW554.38 g/mol
LogP4.58
Rot. Bonds7

About 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 4997215) has the molecular formula C22H20FIN2O4S and a molecular weight of 554.38 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID4997215
Molecular FormulaC22H20FIN2O4S
Molecular Weight554.38 g/mol
Exact Mass554.02
IUPAC Name2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FIN2O4S/c1-15-13-17(24)5-12-21(15)25-22(27)14-26(18-6-3-16(23)4-7-18)31(28,29)20-10-8-19(30-2)9-11-20/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyAEDPTLKQSUCYHC-UHFFFAOYSA-N
XLogP4.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.38
LogP ≤ 54.58
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-dimethoxyphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126385845
N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 126415460
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
N-(2,4-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 4041099
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
N-(2-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1260792
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 43899916
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 1317158
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126190406
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280196
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
N-(4-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1265878

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide (CID 4997215) is 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is AEDPTLKQSUCYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FIN2O4S/c1-15-13-17(24)5-12-21(15)25-22(27)14-26(18-6-3-16(23)4-7-18)31(28,29)20-10-8-19(30-2)9-11-20/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 554.38 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 4997215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).