4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide

C18H24N2O3S2 — CID 90522732

IUPAC4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-23-16-4-6-17(7-5-16)25(21,22)19-10-13-20-11-8-15(9-12-20)18-3-2-14-24-18/h2-7,14-15,19H,8-13H2,1H3
InChIKeyQAVPUQGVRDDOSX-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.91
Rot. Bonds7

About 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 90522732) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
PubChem CID90522732
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-23-16-4-6-17(7-5-16)25(21,22)19-10-13-20-11-8-15(9-12-20)18-3-2-14-24-18/h2-7,14-15,19H,8-13H2,1H3
InChIKeyQAVPUQGVRDDOSX-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787104
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787116
2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 90522711
1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522886
3-chloro-2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522756
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 90522760
N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 91470712
1-(2,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522902
N'-[(3-methoxyphenyl)methyl]-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522839
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787078

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide (CID 90522732) is 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is QAVPUQGVRDDOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-23-16-4-6-17(7-5-16)25(21,22)19-10-13-20-11-8-15(9-12-20)18-3-2-14-24-18/h2-7,14-15,19H,8-13H2,1H3.
What are the key properties of 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 380.54 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90522732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).