[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone

C17H19NO4S2 — CID 90591694

IUPAC[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H19NO4S2/c1-22-13-4-6-14(7-5-13)24(20,21)15-8-10-18(11-9-15)17(19)16-3-2-12-23-16/h2-7,12,15H,8-11H2,1H3
InChIKeyOERDXGFOAHVKDB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.84
Rot. Bonds4

About [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone

[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 90591694) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID90591694
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC Name[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H19NO4S2/c1-22-13-4-6-14(7-5-13)24(20,21)15-8-10-18(11-9-15)17(19)16-3-2-12-23-16/h2-7,12,15H,8-11H2,1H3
InChIKeyOERDXGFOAHVKDB-UHFFFAOYSA-N
XLogP2.84
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]benzonitrile
CID 71809004
(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591730
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone (CID 90591694) is [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone is COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is OERDXGFOAHVKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-22-13-4-6-14(7-5-13)24(20,21)15-8-10-18(11-9-15)17(19)16-3-2-12-23-16/h2-7,12,15H,8-11H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone?
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 90591694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).