N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide

C26H34N4O2S — CID 53322333

IUPACN-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide
SMILESCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC(CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C26H34N4O2S/c1-19-28-25-10-6-7-11-26(25)30(19)24-16-22-12-13-23(17-24)29(22)15-14-21(18-27-33(2,31)32)20-8-4-3-5-9-20/h3-11,21-24,27H,12-18H2,1-2H3
InChIKeyPOSPEWVSVZHQSB-UHFFFAOYSA-N
MW466.65 g/mol
LogP4.24
Rot. Bonds8

About N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide

N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide (PubChem CID 53322333) has the molecular formula C26H34N4O2S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide
PubChem CID53322333
Molecular FormulaC26H34N4O2S
Molecular Weight466.65 g/mol
Exact Mass466.24
IUPAC NameN-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide
SMILESCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC(CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C26H34N4O2S/c1-19-28-25-10-6-7-11-26(25)30(19)24-16-22-12-13-23(17-24)29(22)15-14-21(18-27-33(2,31)32)20-8-4-3-5-9-20/h3-11,21-24,27H,12-18H2,1-2H3
InChIKeyPOSPEWVSVZHQSB-UHFFFAOYSA-N
XLogP4.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.65
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide (CID 53322333) is N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide is Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC(CNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide?
The InChIKey is POSPEWVSVZHQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2S/c1-19-28-25-10-6-7-11-26(25)30(19)24-16-22-12-13-23(17-24)29(22)15-14-21(18-27-33(2,31)32)20-8-4-3-5-9-20/h3-11,21-24,27H,12-18H2,1-2H3.
What are the key properties of N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide?
N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide has a molecular weight of 466.65 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]methanesulfonamide is sourced from PubChem (CID 53322333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).