N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C23H23IN2O3S — CID 1210644

IUPACN-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccccc2C)cc1
InChIInChI=1S/C23H23IN2O3S/c1-16-8-11-20(12-9-16)30(28,29)26(22-7-5-4-6-17(22)2)15-23(27)25-21-13-10-19(24)14-18(21)3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyJMZTUTPPQXBCJP-UHFFFAOYSA-N
MW534.42 g/mol
LogP5.05
Rot. Bonds6

About N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1210644) has the molecular formula C23H23IN2O3S and a molecular weight of 534.42 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1210644
Molecular FormulaC23H23IN2O3S
Molecular Weight534.42 g/mol
Exact Mass534.05
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccccc2C)cc1
InChIInChI=1S/C23H23IN2O3S/c1-16-8-11-20(12-9-16)30(28,29)26(22-7-5-4-6-17(22)2)15-23(27)25-21-13-10-19(24)14-18(21)3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyJMZTUTPPQXBCJP-UHFFFAOYSA-N
XLogP5.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
N-(2,5-dimethylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170327
N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 126415460
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 126129112
N-(5-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1248067
N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126320797
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
N-(2-ethoxyphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998705
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 1317158
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 43899916
N-(2,4-dimethylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172229

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1210644) is N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccccc2C)cc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is JMZTUTPPQXBCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23IN2O3S/c1-16-8-11-20(12-9-16)30(28,29)26(22-7-5-4-6-17(22)2)15-23(27)25-21-13-10-19(24)14-18(21)3/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 534.42 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1210644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).