N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

C22H24N2O3S — CID 22141304

IUPACN-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(Cc3cc4ccccc4o3)CC21
InChIInChI=1S/C22H24N2O3S/c1-22(16-7-5-8-17(11-16)23-28(2,25)26)19-13-24(14-20(19)22)12-18-10-15-6-3-4-9-21(15)27-18/h3-11,19-20,23H,12-14H2,1-2H3
InChIKeyMODNVGVJHNSYTC-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.82
Rot. Bonds5

About N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (PubChem CID 22141304) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
PubChem CID22141304
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(Cc3cc4ccccc4o3)CC21
InChIInChI=1S/C22H24N2O3S/c1-22(16-7-5-8-17(11-16)23-28(2,25)26)19-13-24(14-20(19)22)12-18-10-15-6-3-4-9-21(15)27-18/h3-11,19-20,23H,12-14H2,1-2H3
InChIKeyMODNVGVJHNSYTC-UHFFFAOYSA-N
XLogP3.82
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide 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 N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (CID 22141304) is N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(Cc3cc4ccccc4o3)CC21.
What is the InChIKey of N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The InChIKey is MODNVGVJHNSYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-22(16-7-5-8-17(11-16)23-28(2,25)26)19-13-24(14-20(19)22)12-18-10-15-6-3-4-9-21(15)27-18/h3-11,19-20,23H,12-14H2,1-2H3.
What are the key properties of N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 22141304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).