N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C24H28N2O3S — CID 43009019

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCC(NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)C1CC2CCC1C2
InChIInChI=1S/C24H28N2O3S/c1-17(23-16-19-7-8-21(23)15-19)25-24(27)20-9-11-22(12-10-20)26-30(28,29)14-13-18-5-3-2-4-6-18/h2-6,9-14,17,19,21,23,26H,7-8,15-16H2,1H3,(H,25,27)/b14-13+
InChIKeyVJJYBJHWGGVVCN-BUHFOSPRSA-N
MW424.57 g/mol
LogP4.65
Rot. Bonds7

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 43009019) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID43009019
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCC(NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)C1CC2CCC1C2
InChIInChI=1S/C24H28N2O3S/c1-17(23-16-19-7-8-21(23)15-19)25-24(27)20-9-11-22(12-10-20)26-30(28,29)14-13-18-5-3-2-4-6-18/h2-6,9-14,17,19,21,23,26H,7-8,15-16H2,1H3,(H,25,27)/b14-13+
InChIKeyVJJYBJHWGGVVCN-BUHFOSPRSA-N
XLogP4.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315088
(E)-N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylprop-2-enamide
CID 98510446
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43009015
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(carbamoylamino)benzamide
CID 78789513
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-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 4216853
N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55620096
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 43009019) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is CC(NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is VJJYBJHWGGVVCN-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-17(23-16-19-7-8-21(23)15-19)25-24(27)20-9-11-22(12-10-20)26-30(28,29)14-13-18-5-3-2-4-6-18/h2-6,9-14,17,19,21,23,26H,7-8,15-16H2,1H3,(H,25,27)/b14-13+.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 424.57 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 43009019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).