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

C23H34N2O3S — CID 70675433

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C23H34N2O3S/c1-2-29(26,27)24-20-9-7-18(8-10-20)11-14-25-15-12-19(13-16-25)22-17-28-23-6-4-3-5-21(22)23/h3-6,17-20,24H,2,7-16H2,1H3
InChIKeySIJIBHRUTSSJLY-UHFFFAOYSA-N
MW418.60 g/mol
LogP4.50
Rot. Bonds7

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

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide (PubChem CID 70675433) has the molecular formula C23H34N2O3S and a molecular weight of 418.60 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide
PubChem CID70675433
Molecular FormulaC23H34N2O3S
Molecular Weight418.60 g/mol
Exact Mass418.23
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C23H34N2O3S/c1-2-29(26,27)24-20-9-7-18(8-10-20)11-14-25-15-12-19(13-16-25)22-17-28-23-6-4-3-5-21(22)23/h3-6,17-20,24H,2,7-16H2,1H3
InChIKeySIJIBHRUTSSJLY-UHFFFAOYSA-N
XLogP4.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
CID 70674942
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 70675174
4-(1-Benzofuran-3-yl)-1-propylpiperidine
CID 71452519
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide
CID 57379033
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 57386961
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
CID 57387210
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide
CID 57387461
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide
CID 70673787
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide
CID 70673789
4-(1-Benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine
CID 70673790
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4,4,4-trifluorobutanamide
CID 70673791
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide
CID 70673916

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide (CID 70675433) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide is CCS(=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]ethanesulfonamide?
The InChIKey is SIJIBHRUTSSJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3S/c1-2-29(26,27)24-20-9-7-18(8-10-20)11-14-25-15-12-19(13-16-25)22-17-28-23-6-4-3-5-21(22)23/h3-6,17-20,24H,2,7-16H2,1H3.
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanesulfonamide has a molecular weight of 418.60 g/mol, XLogP of 4.50, 7 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]ethanesulfonamide is sourced from PubChem (CID 70675433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).