2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

C16H17IN2O3S — CID 1326606

IUPAC2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H17IN2O3S/c1-12-4-3-5-14(10-12)18-16(20)11-19(23(2,21)22)15-8-6-13(17)7-9-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyMXJLJZNXMGVWSR-UHFFFAOYSA-N
MW444.29 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 1326606) has the molecular formula C16H17IN2O3S and a molecular weight of 444.29 g/mol. Its IUPAC name is 2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
PubChem CID1326606
Molecular FormulaC16H17IN2O3S
Molecular Weight444.29 g/mol
Exact Mass444.00
IUPAC Name2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H17IN2O3S/c1-12-4-3-5-14(10-12)18-16(20)11-19(23(2,21)22)15-8-6-13(17)7-9-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyMXJLJZNXMGVWSR-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 53.00
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-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide
CID 30257983
methyl 4-[[2-(3-methylanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156049
N-(3-methylphenyl)-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156289
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2194266
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2208111
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2223877

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (CID 1326606) is 2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is MXJLJZNXMGVWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O3S/c1-12-4-3-5-14(10-12)18-16(20)11-19(23(2,21)22)15-8-6-13(17)7-9-15/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 444.29 g/mol, XLogP of 3.00, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 1326606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).