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

C32H37N5O3S — CID 53317069

IUPAC3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide
SMILESCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC(CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C32H37N5O3S/c1-22-35-30-12-5-6-13-31(30)37(22)28-19-26-14-15-27(20-28)36(26)17-16-25(23-8-3-2-4-9-23)21-34-41(39,40)29-11-7-10-24(18-29)32(33)38/h2-13,18,25-28,34H,14-17,19-21H2,1H3,(H2,33,38)
InChIKeyLCGAEBCCQAHCNV-UHFFFAOYSA-N
MW571.75 g/mol
LogP4.76
Rot. Bonds10

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

3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide (PubChem CID 53317069) has the molecular formula C32H37N5O3S and a molecular weight of 571.75 g/mol. Its IUPAC name is 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide
PubChem CID53317069
Molecular FormulaC32H37N5O3S
Molecular Weight571.75 g/mol
Exact Mass571.26
IUPAC Name3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide
SMILESCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC(CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C32H37N5O3S/c1-22-35-30-12-5-6-13-31(30)37(22)28-19-26-14-15-27(20-28)36(26)17-16-25(23-8-3-2-4-9-23)21-34-41(39,40)29-11-7-10-24(18-29)32(33)38/h2-13,18,25-28,34H,14-17,19-21H2,1H3,(H2,33,38)
InChIKeyLCGAEBCCQAHCNV-UHFFFAOYSA-N
XLogP4.76
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.75
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide?
The IUPAC name of 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide (CID 53317069) is 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide.
What is the SMILES notation for 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide?
The canonical SMILES for 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide is Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC(CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1.
What is the InChIKey of 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide?
The InChIKey is LCGAEBCCQAHCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3S/c1-22-35-30-12-5-6-13-31(30)37(22)28-19-26-14-15-27(20-28)36(26)17-16-25(23-8-3-2-4-9-23)21-34-41(39,40)29-11-7-10-24(18-29)32(33)38/h2-13,18,25-28,34H,14-17,19-21H2,1H3,(H2,33,38).
What are the key properties of 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide?
3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide has a molecular weight of 571.75 g/mol, XLogP of 4.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutyl]sulfamoyl]benzamide is sourced from PubChem (CID 53317069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).