N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

C18H27N3O4S — CID 119455312

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H27N3O4S/c1-12-3-6-16(26(23,24)19-7-8-25-2)11-17(12)18(22)21-15-9-13-4-5-14(10-15)20-13/h3,6,11,13-15,19-20H,4-5,7-10H2,1-2H3,(H,21,22)
InChIKeyAOIAPVITHICRSF-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.93
Rot. Bonds7

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (PubChem CID 119455312) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
PubChem CID119455312
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H27N3O4S/c1-12-3-6-16(26(23,24)19-7-8-25-2)11-17(12)18(22)21-15-9-13-4-5-14(10-15)20-13/h3,6,11,13-15,19-20H,4-5,7-10H2,1-2H3,(H,21,22)
InChIKeyAOIAPVITHICRSF-UHFFFAOYSA-N
XLogP0.93
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 36821044
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 120656528
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
CID 119968215
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
N-(2-methoxyethyl)-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119542809
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-5-nitrobenzamide;hydrochloride
CID 119455692
N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (CID 119455312) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CC3CCC(C2)N3)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The InChIKey is AOIAPVITHICRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-12-3-6-16(26(23,24)19-7-8-25-2)11-17(12)18(22)21-15-9-13-4-5-14(10-15)20-13/h3,6,11,13-15,19-20H,4-5,7-10H2,1-2H3,(H,21,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 119455312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).