N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

C25H29N3O5S — CID 41368529

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3coc4cc(C)c(C)cc34)CC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-16-12-23-19(15-33-24(23)13-17(16)2)14-25(30)27-21-8-10-28(11-9-21)34(31,32)22-6-4-20(5-7-22)26-18(3)29/h4-7,12-13,15,21H,8-11,14H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyKCDZTDKGDQZMET-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.52
Rot. Bonds6

About N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 41368529) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID41368529
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3coc4cc(C)c(C)cc34)CC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-16-12-23-19(15-33-24(23)13-17(16)2)14-25(30)27-21-8-10-28(11-9-21)34(31,32)22-6-4-20(5-7-22)26-18(3)29/h4-7,12-13,15,21H,8-11,14H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyKCDZTDKGDQZMET-UHFFFAOYSA-N
XLogP3.52
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 34440755
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26521392
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386294
N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119474919
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-quinolin-8-ylacetamide
CID 24653440
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24614405
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 24611592
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3971736

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 41368529) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3coc4cc(C)c(C)cc34)CC2)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is KCDZTDKGDQZMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-16-12-23-19(15-33-24(23)13-17(16)2)14-25(30)27-21-8-10-28(11-9-21)34(31,32)22-6-4-20(5-7-22)26-18(3)29/h4-7,12-13,15,21H,8-11,14H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 483.59 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 41368529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).