N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide

C24H30N2O3S — CID 2337143

IUPACN-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)cc1
InChIInChI=1S/C24H30N2O3S/c1-17-8-10-19(11-9-17)25-30(28,29)21-7-5-6-18(12-21)22(27)26-16-24(4)14-20(26)13-23(2,3)15-24/h5-12,20,25H,13-16H2,1-4H3/t20-,24-/m1/s1
InChIKeyBGHOYFXVTFWFRN-HYBUGGRVSA-N
MW426.58 g/mol
LogP4.84
Rot. Bonds4

About N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide

N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide (PubChem CID 2337143) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide
PubChem CID2337143
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)cc1
InChIInChI=1S/C24H30N2O3S/c1-17-8-10-19(11-9-17)25-30(28,29)21-7-5-6-18(12-21)22(27)26-16-24(4)14-20(26)13-23(2,3)15-24/h5-12,20,25H,13-16H2,1-4H3/t20-,24-/m1/s1
InChIKeyBGHOYFXVTFWFRN-HYBUGGRVSA-N
XLogP4.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide with MolForge

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Related Compounds

(3-methylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 2928751
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
methyl 3-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]carbamoyl]benzoate
CID 11750886
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25041773
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoate
CID 25046108
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
[3-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 118764654
[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 98410833
1H-indol-6-yl-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98131739

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide (CID 2337143) is N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide?
The InChIKey is BGHOYFXVTFWFRN-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-17-8-10-19(11-9-17)25-30(28,29)21-7-5-6-18(12-21)22(27)26-16-24(4)14-20(26)13-23(2,3)15-24/h5-12,20,25H,13-16H2,1-4H3/t20-,24-/m1/s1.
What are the key properties of N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide?
N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide has a molecular weight of 426.58 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]benzenesulfonamide is sourced from PubChem (CID 2337143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).