4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C20H28N2O3S2 — CID 16888312

IUPAC4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1C
InChIInChI=1S/C20H28N2O3S2/c1-15-11-19(12-16(2)20(15)25-3)27(23,24)21-13-17-6-8-22(9-7-17)14-18-5-4-10-26-18/h4-5,10-12,17,21H,6-9,13-14H2,1-3H3
InChIKeyZNTRZTRTAHSCGJ-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.56
Rot. Bonds7

About 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888312) has the molecular formula C20H28N2O3S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888312
Molecular FormulaC20H28N2O3S2
Molecular Weight408.59 g/mol
Exact Mass408.15
IUPAC Name4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1C
InChIInChI=1S/C20H28N2O3S2/c1-15-11-19(12-16(2)20(15)25-3)27(23,24)21-13-17-6-8-22(9-7-17)14-18-5-4-10-26-18/h4-5,10-12,17,21H,6-9,13-14H2,1-3H3
InChIKeyZNTRZTRTAHSCGJ-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888312) is 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is ZNTRZTRTAHSCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S2/c1-15-11-19(12-16(2)20(15)25-3)27(23,24)21-13-17-6-8-22(9-7-17)14-18-5-4-10-26-18/h4-5,10-12,17,21H,6-9,13-14H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 408.59 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).