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

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

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Related Compounds

4-methoxy-N-[[(3R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26333357
4-methoxy-N-[[(3S)-1-(2-piperidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42460993
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 56741459
4-methoxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 45203635
4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 25304086
4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42288519
N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 25458978
4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 97268124
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628
N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 25302920

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).