2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride

C18H28ClN3O3S — CID 119821871

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-2-20-25(23,24)17-7-3-13(4-8-17)12-19-18(22)11-14-9-15-5-6-16(10-14)21-15;/h3-4,7-8,14-16,20-21H,2,5-6,9-12H2,1H3,(H,19,22);1H
InChIKeyWGSUQENPONNEIF-UHFFFAOYSA-N
MW401.96 g/mol
LogP1.94
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119821871) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride
PubChem CID119821871
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-2-20-25(23,24)17-7-3-13(4-8-17)12-19-18(22)11-14-9-15-5-6-16(10-14)21-15;/h3-4,7-8,14-16,20-21H,2,5-6,9-12H2,1H3,(H,19,22);1H
InChIKeyWGSUQENPONNEIF-UHFFFAOYSA-N
XLogP1.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119700898
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
CID 119714363
N-[4-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119701224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753125
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 119752383
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114181942
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698670
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119685749
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
CID 119780926
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 119684803
N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119821892
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 119754604

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride (CID 119821871) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride is CCNS(=O)(=O)c1ccc(CNC(=O)CC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is WGSUQENPONNEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c1-2-20-25(23,24)17-7-3-13(4-8-17)12-19-18(22)11-14-9-15-5-6-16(10-14)21-15;/h3-4,7-8,14-16,20-21H,2,5-6,9-12H2,1H3,(H,19,22);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119821871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).