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

C24H34N2O4S — CID 57387461

IUPACN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C24H34N2O4S/c1-31(28,29)17-24(27)25-20-7-5-18(6-8-20)9-13-26-14-10-19(11-15-26)21-3-2-4-23-22(21)12-16-30-23/h2-4,12,16,18-20H,5-11,13-15,17H2,1H3,(H,25,27)
InChIKeyBQGJUXXCNWSZIZ-UHFFFAOYSA-N
MW446.61 g/mol
LogP3.72
Rot. Bonds7

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

N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide (PubChem CID 57387461) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide
PubChem CID57387461
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C24H34N2O4S/c1-31(28,29)17-24(27)25-20-7-5-18(6-8-20)9-13-26-14-10-19(11-15-26)21-3-2-4-23-22(21)12-16-30-23/h2-4,12,16,18-20H,5-11,13-15,17H2,1H3,(H,25,27)
InChIKeyBQGJUXXCNWSZIZ-UHFFFAOYSA-N
XLogP3.72
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide (CID 57387461) is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide?
The InChIKey is BQGJUXXCNWSZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-31(28,29)17-24(27)25-20-7-5-18(6-8-20)9-13-26-14-10-19(11-15-26)21-3-2-4-23-22(21)12-16-30-23/h2-4,12,16,18-20H,5-11,13-15,17H2,1H3,(H,25,27).
What are the key properties of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide?
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide has a molecular weight of 446.61 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 57387461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).