N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide

C17H17N3O4S — CID 55706292

IUPACN-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H17N3O4S/c1-12(14-5-3-13(11-18)4-6-14)19-17(21)15-7-9-16(10-8-15)25(22,23)20-24-2/h3-10,12,20H,1-2H3,(H,19,21)
InChIKeyNEZDGKPEUIKSDL-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.89
Rot. Bonds6

About N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide

N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide (PubChem CID 55706292) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide
PubChem CID55706292
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H17N3O4S/c1-12(14-5-3-13(11-18)4-6-14)19-17(21)15-7-9-16(10-8-15)25(22,23)20-24-2/h3-10,12,20H,1-2H3,(H,19,21)
InChIKeyNEZDGKPEUIKSDL-UHFFFAOYSA-N
XLogP1.89
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide
CID 51947181
N-[1-[1-(4-cyanophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55583644
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
methyl (2S)-2-[1-(4-cyanophenyl)ethylamino]propanoate
CID 43723691
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide (CID 55706292) is N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide is CONS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide?
The InChIKey is NEZDGKPEUIKSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12(14-5-3-13(11-18)4-6-14)19-17(21)15-7-9-16(10-8-15)25(22,23)20-24-2/h3-10,12,20H,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide?
N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide has a molecular weight of 359.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide is sourced from PubChem (CID 55706292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).