5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide

C18H21IN2O3S — CID 55775467

IUPAC5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)c1ccccc1C
InChIInChI=1S/C18H21IN2O3S/c1-5-21(17-9-7-6-8-13(17)2)18(22)15-12-14(10-11-16(15)19)25(23,24)20(3)4/h6-12H,5H2,1-4H3
InChIKeyMQBCAUDDOXPZAV-UHFFFAOYSA-N
MW472.35 g/mol
LogP3.52
Rot. Bonds5

About 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide

5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide (PubChem CID 55775467) has the molecular formula C18H21IN2O3S and a molecular weight of 472.35 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide
PubChem CID55775467
Molecular FormulaC18H21IN2O3S
Molecular Weight472.35 g/mol
Exact Mass472.03
IUPAC Name5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)c1ccccc1C
InChIInChI=1S/C18H21IN2O3S/c1-5-21(17-9-7-6-8-13(17)2)18(22)15-12-14(10-11-16(15)19)25(23,24)20(3)4/h6-12H,5H2,1-4H3
InChIKeyMQBCAUDDOXPZAV-UHFFFAOYSA-N
XLogP3.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide
CID 55614680
5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962258
2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
CID 49338730
N-ethyl-3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82829552
N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
CID 47438537
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
2-chloro-N-ethyl-N-(2-methylphenyl)furan-3-carboxamide
CID 106685239
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 24676552
4-amino-N-ethyl-6-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 81234362
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
CID 18193284
5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 43424615

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide (CID 55775467) is 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide is CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)c1ccccc1C.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide?
The InChIKey is MQBCAUDDOXPZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O3S/c1-5-21(17-9-7-6-8-13(17)2)18(22)15-12-14(10-11-16(15)19)25(23,24)20(3)4/h6-12H,5H2,1-4H3.
What are the key properties of 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide?
5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide has a molecular weight of 472.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 55775467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).