N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide

C19H23IN2O3S — CID 55339070

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C19H23IN2O3S/c1-4-22(5-2)26(24,25)18-12-8-15(9-13-18)14(3)21-19(23)16-6-10-17(20)11-7-16/h6-14H,4-5H2,1-3H3,(H,21,23)
InChIKeyNTBBLTIQWUXWMC-UHFFFAOYSA-N
MW486.38 g/mol
LogP3.81
Rot. Bonds7

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide (PubChem CID 55339070) has the molecular formula C19H23IN2O3S and a molecular weight of 486.38 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
PubChem CID55339070
Molecular FormulaC19H23IN2O3S
Molecular Weight486.38 g/mol
Exact Mass486.05
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C19H23IN2O3S/c1-4-22(5-2)26(24,25)18-12-8-15(9-13-18)14(3)21-19(23)16-6-10-17(20)11-7-16/h6-14H,4-5H2,1-3H3,(H,21,23)
InChIKeyNTBBLTIQWUXWMC-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 53.81
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

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 31367915
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
4-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46680020
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55454405
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide (CID 55339070) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide?
The InChIKey is NTBBLTIQWUXWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN2O3S/c1-4-22(5-2)26(24,25)18-12-8-15(9-13-18)14(3)21-19(23)16-6-10-17(20)11-7-16/h6-14H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide has a molecular weight of 486.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide is sourced from PubChem (CID 55339070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).