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

C18H21IN2O4S — CID 982515

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(I)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H21IN2O4S/c1-4-25-17-8-6-5-7-16(17)21(26(3,23)24)12-18(22)20-15-10-9-14(19)11-13(15)2/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyGFAZDZSWJXRHDD-UHFFFAOYSA-N
MW488.35 g/mol
LogP3.40
Rot. Bonds7

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

2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 982515) has the molecular formula C18H21IN2O4S and a molecular weight of 488.35 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID982515
Molecular FormulaC18H21IN2O4S
Molecular Weight488.35 g/mol
Exact Mass488.03
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(I)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H21IN2O4S/c1-4-25-17-8-6-5-7-16(17)21(26(3,23)24)12-18(22)20-15-10-9-14(19)11-13(15)2/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyGFAZDZSWJXRHDD-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.35
LogP ≤ 53.40
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-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30268575
N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 3554676
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 126258649
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1302977
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1210644
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide (CID 982515) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(I)cc1C)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is GFAZDZSWJXRHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O4S/c1-4-25-17-8-6-5-7-16(17)21(26(3,23)24)12-18(22)20-15-10-9-14(19)11-13(15)2/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 488.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 982515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).