2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide

C17H18IN3O4S — CID 2687936

IUPAC2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H18IN3O4S/c18-15-4-2-1-3-14(15)17(23)21-11-16(22)20-10-9-12-5-7-13(8-6-12)26(19,24)25/h1-8H,9-11H2,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeySDUBAYNBADEDFN-UHFFFAOYSA-N
MW487.32 g/mol
LogP1.03
Rot. Bonds7

About 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide

2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide (PubChem CID 2687936) has the molecular formula C17H18IN3O4S and a molecular weight of 487.32 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
PubChem CID2687936
Molecular FormulaC17H18IN3O4S
Molecular Weight487.32 g/mol
Exact Mass487.01
IUPAC Name2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H18IN3O4S/c18-15-4-2-1-3-14(15)17(23)21-11-16(22)20-10-9-12-5-7-13(8-6-12)26(19,24)25/h1-8H,9-11H2,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeySDUBAYNBADEDFN-UHFFFAOYSA-N
XLogP1.03
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 46651326
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide
CID 11409427
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide
CID 55826561
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
2-[(2-chlorophenyl)methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108997936
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide (CID 2687936) is 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide?
The InChIKey is SDUBAYNBADEDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18IN3O4S/c18-15-4-2-1-3-14(15)17(23)21-11-16(22)20-10-9-12-5-7-13(8-6-12)26(19,24)25/h1-8H,9-11H2,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide?
2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide has a molecular weight of 487.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 2687936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).