N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide

C18H26N2O3S — CID 53289335

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)NC2CC3CCC2C3)cc1)S(=O)(=O)CC
InChIInChI=1S/C18H26N2O3S/c1-3-20(24(22,23)4-2)16-9-7-14(8-10-16)18(21)19-17-12-13-5-6-15(17)11-13/h7-10,13,15,17H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyFXKABVYQJVMHQI-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.78
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide

N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide (PubChem CID 53289335) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
PubChem CID53289335
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)NC2CC3CCC2C3)cc1)S(=O)(=O)CC
InChIInChI=1S/C18H26N2O3S/c1-3-20(24(22,23)4-2)16-9-7-14(8-10-16)18(21)19-17-12-13-5-6-15(17)11-13/h7-10,13,15,17H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyFXKABVYQJVMHQI-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methylsulfonyl)amino]-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23911808
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 7326108
N-(2-bicyclo[2.2.1]heptanyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 2866146
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1231482
4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 50945980
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 133145390
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide (CID 53289335) is N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide is CCN(c1ccc(C(=O)NC2CC3CCC2C3)cc1)S(=O)(=O)CC.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide?
The InChIKey is FXKABVYQJVMHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-20(24(22,23)4-2)16-9-7-14(8-10-16)18(21)19-17-12-13-5-6-15(17)11-13/h7-10,13,15,17H,3-6,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide has a molecular weight of 350.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide is sourced from PubChem (CID 53289335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).