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

C18H28ClN3O3S — CID 119685749

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-12(2)21-25(23,24)17-7-5-14(6-8-17)20-18(22)11-13-9-15-3-4-16(10-13)19-15;/h5-8,12-13,15-16,19,21H,3-4,9-11H2,1-2H3,(H,20,22);1H
InChIKeyHRAMILXVJOYWQG-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.65
Rot. Bonds6

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride (PubChem CID 119685749) 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-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride
PubChem CID119685749
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-12(2)21-25(23,24)17-7-5-14(6-8-17)20-18(22)11-13-9-15-3-4-16(10-13)19-15;/h5-8,12-13,15-16,19,21H,3-4,9-11H2,1-2H3,(H,20,22);1H
InChIKeyHRAMILXVJOYWQG-UHFFFAOYSA-N
XLogP2.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride with MolForge

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Related Compounds

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9188283
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868270
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfonylphenyl)acetamide;hydrochloride
CID 119694305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
CID 79609820
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide;dihydrochloride
CID 119848911
N-[4-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119701224
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119772458
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 119738014

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride (CID 119685749) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride is CC(C)NS(=O)(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride?
The InChIKey is HRAMILXVJOYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c1-12(2)21-25(23,24)17-7-5-14(6-8-17)20-18(22)11-13-9-15-3-4-16(10-13)19-15;/h5-8,12-13,15-16,19,21H,3-4,9-11H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 2.65, 6 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-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119685749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).