N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide

C18H26N2O4S — CID 51217175

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C18H26N2O4S/c1-12(17-11-13-4-5-15(17)10-13)19-18(21)14-6-8-16(9-7-14)25(22,23)20(2)24-3/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyWDNKJAADBWSLGK-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.42
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 51217175) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID51217175
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C18H26N2O4S/c1-12(17-11-13-4-5-15(17)10-13)19-18(21)14-6-8-16(9-7-14)25(22,23)20(2)24-3/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyWDNKJAADBWSLGK-UHFFFAOYSA-N
XLogP2.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 46559786
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696
[(2S)-1-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 124828655
4-(azepan-1-ylsulfonyl)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzamide
CID 98287722
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43009015
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 124719199
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 46561051
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-cyclopentyloxybenzamide
CID 98331739
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(carbamoylamino)benzamide
CID 78789513

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide (CID 51217175) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is WDNKJAADBWSLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-12(17-11-13-4-5-15(17)10-13)19-18(21)14-6-8-16(9-7-14)25(22,23)20(2)24-3/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 366.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 51217175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).