4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide

C23H30N2O3S — CID 45226658

IUPAC4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCN(C/C(C)=C/c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O3S/c1-19(15-20-7-4-3-5-8-20)17-25-14-6-9-21(18-25)16-24-29(26,27)23-12-10-22(28-2)11-13-23/h3-5,7-8,10-13,15,21,24H,6,9,14,16-18H2,1-2H3/b19-15+
InChIKeyUXTOBSWROYPEKZ-XDJHFCHBSA-N
MW414.57 g/mol
LogP3.79
Rot. Bonds8

About 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide

4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 45226658) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID45226658
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCN(C/C(C)=C/c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O3S/c1-19(15-20-7-4-3-5-8-20)17-25-14-6-9-21(18-25)16-24-29(26,27)23-12-10-22(28-2)11-13-23/h3-5,7-8,10-13,15,21,24H,6,9,14,16-18H2,1-2H3/b19-15+
InChIKeyUXTOBSWROYPEKZ-XDJHFCHBSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide (CID 45226658) is 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCCN(C/C(C)=C/c3ccccc3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is UXTOBSWROYPEKZ-XDJHFCHBSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-19(15-20-7-4-3-5-8-20)17-25-14-6-9-21(18-25)16-24-29(26,27)23-12-10-22(28-2)11-13-23/h3-5,7-8,10-13,15,21,24H,6,9,14,16-18H2,1-2H3/b19-15+.
What are the key properties of 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 45226658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).