2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide

C18H21IN2O4S — CID 45372312

IUPAC2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C18H21IN2O4S/c1-4-21(12-18(22)20-15-8-6-14(19)7-9-15)26(23,24)17-11-13(2)5-10-16(17)25-3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyJFEGOEZAFBSFLA-UHFFFAOYSA-N
MW488.35 g/mol
LogP3.26
Rot. Bonds7

About 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide (PubChem CID 45372312) has the molecular formula C18H21IN2O4S and a molecular weight of 488.35 g/mol. Its IUPAC name is 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
PubChem CID45372312
Molecular FormulaC18H21IN2O4S
Molecular Weight488.35 g/mol
Exact Mass488.03
IUPAC Name2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C18H21IN2O4S/c1-4-21(12-18(22)20-15-8-6-14(19)7-9-15)26(23,24)17-11-13(2)5-10-16(17)25-3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyJFEGOEZAFBSFLA-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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-(3-chloro-4-methylphenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372313
N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372690
dimethyl 5-[[2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45372693
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 45372284
N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 5175531
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 3632011
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 45372412
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
N-(1,2-benzothiazol-5-yl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 100796768
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide (CID 45372312) is 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide is CCN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is JFEGOEZAFBSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O4S/c1-4-21(12-18(22)20-15-8-6-14(19)7-9-15)26(23,24)17-11-13(2)5-10-16(17)25-3/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide?
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 488.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 45372312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).