2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide

C18H21IN2O3S — CID 2194266

IUPAC2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21IN2O3S/c1-12-9-13(2)18(14(3)10-12)20-17(22)11-21(25(4,23)24)16-7-5-15(19)6-8-16/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyDNUJFJPALPUKIC-UHFFFAOYSA-N
MW472.35 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide

2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 2194266) has the molecular formula C18H21IN2O3S and a molecular weight of 472.35 g/mol. Its IUPAC name is 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID2194266
Molecular FormulaC18H21IN2O3S
Molecular Weight472.35 g/mol
Exact Mass472.03
IUPAC Name2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21IN2O3S/c1-12-9-13(2)18(14(3)10-12)20-17(22)11-21(25(4,23)24)16-7-5-15(19)6-8-16/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyDNUJFJPALPUKIC-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.35
LogP ≤ 53.62
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

2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
2-(4-methoxy-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1318164
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1295562
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2208111
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113155569
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 2194266) is 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is DNUJFJPALPUKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O3S/c1-12-9-13(2)18(14(3)10-12)20-17(22)11-21(25(4,23)24)16-7-5-15(19)6-8-16/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 472.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 2194266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).