N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C26H32N2O4S — CID 34440755

IUPACN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3coc4cc(C)c(C(C)C)cc34)CC2)cc1
InChIInChI=1S/C26H32N2O4S/c1-17(2)23-15-24-20(16-32-25(24)13-19(23)4)14-26(29)27-21-9-11-28(12-10-21)33(30,31)22-7-5-18(3)6-8-22/h5-8,13,15-17,21H,9-12,14H2,1-4H3,(H,27,29)
InChIKeyHXXOIOAYUNTVNA-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.69
Rot. Bonds6

About N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 34440755) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID34440755
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3coc4cc(C)c(C(C)C)cc34)CC2)cc1
InChIInChI=1S/C26H32N2O4S/c1-17(2)23-15-24-20(16-32-25(24)13-19(23)4)14-26(29)27-21-9-11-28(12-10-21)33(30,31)22-7-5-18(3)6-8-22/h5-8,13,15-17,21H,9-12,14H2,1-4H3,(H,27,29)
InChIKeyHXXOIOAYUNTVNA-UHFFFAOYSA-N
XLogP4.69
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 41368529
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55433162
N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 2513771
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 112761506
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32905444
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 129376471
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108560767
N-[4-[[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 38128775
3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 42030306

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 34440755) is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3coc4cc(C)c(C(C)C)cc34)CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is HXXOIOAYUNTVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S/c1-17(2)23-15-24-20(16-32-25(24)13-19(23)4)14-26(29)27-21-9-11-28(12-10-21)33(30,31)22-7-5-18(3)6-8-22/h5-8,13,15-17,21H,9-12,14H2,1-4H3,(H,27,29).
What are the key properties of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 468.62 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 34440755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).