1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone

C24H21NO4S2 — CID 24730850

IUPAC1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc2occc2c1)N1CCC(S(=O)(=O)c2ccc(-c3ccsc3)cc2)CC1
InChIInChI=1S/C24H21NO4S2/c26-24(19-3-6-23-18(15-19)9-13-29-23)25-11-7-22(8-12-25)31(27,28)21-4-1-17(2-5-21)20-10-14-30-16-20/h1-6,9-10,13-16,22H,7-8,11-12H2
InChIKeyGXGCFWIOCURLQK-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.24
Rot. Bonds4

About 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone

1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 24730850) has the molecular formula C24H21NO4S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID24730850
Molecular FormulaC24H21NO4S2
Molecular Weight451.57 g/mol
Exact Mass451.09
IUPAC Name1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc2occc2c1)N1CCC(S(=O)(=O)c2ccc(-c3ccsc3)cc2)CC1
InChIInChI=1S/C24H21NO4S2/c26-24(19-3-6-23-18(15-19)9-13-29-23)25-11-7-22(8-12-25)31(27,28)21-4-1-17(2-5-21)20-10-14-30-16-20/h1-6,9-10,13-16,22H,7-8,11-12H2
InChIKeyGXGCFWIOCURLQK-UHFFFAOYSA-N
XLogP5.24
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone with MolForge

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Related Compounds

4-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]sulfonylphenyl]benzonitrile
CID 24730980
[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 71808743
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
CID 24730849
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97134600
N-(2,1,3-benzothiadiazol-4-yl)-4-(4-thiophen-3-ylphenyl)sulfonylpiperidine-1-carboxamide
CID 24730834
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 90589712
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160270

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone (CID 24730850) is 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone is O=C(c1ccc2occc2c1)N1CCC(S(=O)(=O)c2ccc(-c3ccsc3)cc2)CC1.
What is the InChIKey of 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is GXGCFWIOCURLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4S2/c26-24(19-3-6-23-18(15-19)9-13-29-23)25-11-7-22(8-12-25)31(27,28)21-4-1-17(2-5-21)20-10-14-30-16-20/h1-6,9-10,13-16,22H,7-8,11-12H2.
What are the key properties of 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone?
1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 451.57 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 24730850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).