2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide

C18H22IN3O5S2 — CID 43899916

IUPAC2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22IN3O5S2/c1-13-11-14(19)5-10-17(13)20-18(23)12-22(28(4,24)25)15-6-8-16(9-7-15)29(26,27)21(2)3/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyQXUILBBQSUIKFY-UHFFFAOYSA-N
MW551.43 g/mol
LogP2.25
Rot. Bonds7

About 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 43899916) has the molecular formula C18H22IN3O5S2 and a molecular weight of 551.43 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID43899916
Molecular FormulaC18H22IN3O5S2
Molecular Weight551.43 g/mol
Exact Mass551.00
IUPAC Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22IN3O5S2/c1-13-11-14(19)5-10-17(13)20-18(23)12-22(28(4,24)25)15-6-8-16(9-7-15)29(26,27)21(2)3/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyQXUILBBQSUIKFY-UHFFFAOYSA-N
XLogP2.25
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 1243031
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126190406
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4997215
N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 126415460
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1302977
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide
CID 30257983
N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1210644
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide
CID 30261797

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide (CID 43899916) is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is QXUILBBQSUIKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IN3O5S2/c1-13-11-14(19)5-10-17(13)20-18(23)12-22(28(4,24)25)15-6-8-16(9-7-15)29(26,27)21(2)3/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide?
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 551.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 43899916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).