N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide

C22H32N2O3S — CID 70675432

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C22H32N2O3S/c1-28(25,26)23-19-8-6-17(7-9-19)10-13-24-14-11-18(12-15-24)21-16-27-22-5-3-2-4-20(21)22/h2-5,16-19,23H,6-15H2,1H3
InChIKeyQAAOBQZCHWUKTE-UHFFFAOYSA-N
MW404.58 g/mol
LogP4.11
Rot. Bonds6

About N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide (PubChem CID 70675432) has the molecular formula C22H32N2O3S and a molecular weight of 404.58 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide
PubChem CID70675432
Molecular FormulaC22H32N2O3S
Molecular Weight404.58 g/mol
Exact Mass404.21
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C22H32N2O3S/c1-28(25,26)23-19-8-6-17(7-9-19)10-13-24-14-11-18(12-15-24)21-16-27-22-5-3-2-4-20(21)22/h2-5,16-19,23H,6-15H2,1H3
InChIKeyQAAOBQZCHWUKTE-UHFFFAOYSA-N
XLogP4.11
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide (CID 70675432) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide?
The InChIKey is QAAOBQZCHWUKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3S/c1-28(25,26)23-19-8-6-17(7-9-19)10-13-24-14-11-18(12-15-24)21-16-27-22-5-3-2-4-20(21)22/h2-5,16-19,23H,6-15H2,1H3.
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide has a molecular weight of 404.58 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 70675432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).