N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide

C28H32N2O2S — CID 23285214

IUPACN-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide
SMILESCN(C/C=C(/CN1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H32N2O2S/c1-29(33(31,32)28-15-9-4-10-16-28)20-17-27(25-13-7-3-8-14-25)23-30-21-18-26(19-22-30)24-11-5-2-6-12-24/h2-17,26H,18-23H2,1H3/b27-17-
InChIKeyDCFCGCANKDXCHN-PKAZHMFMSA-N
MW460.64 g/mol
LogP5.27
Rot. Bonds8

About N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide

N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide (PubChem CID 23285214) has the molecular formula C28H32N2O2S and a molecular weight of 460.64 g/mol. Its IUPAC name is N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide
PubChem CID23285214
Molecular FormulaC28H32N2O2S
Molecular Weight460.64 g/mol
Exact Mass460.22
IUPAC NameN-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide
SMILESCN(C/C=C(/CN1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H32N2O2S/c1-29(33(31,32)28-15-9-4-10-16-28)20-17-27(25-13-7-3-8-14-25)23-30-21-18-26(19-22-30)24-11-5-2-6-12-24/h2-17,26H,18-23H2,1H3/b27-17-
InChIKeyDCFCGCANKDXCHN-PKAZHMFMSA-N
XLogP5.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.64
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide
CID 102462473
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 70263958
N-[2-(4-fluoro-3-methylphenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 23285339
1-[(E)-but-2-enyl]-4-phenylpiperidine
CID 22888236
N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 95142828
2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
CID 67794190
1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane
CID 91270011
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
1-tert-butylsulfonyl-4-phenylpiperidine
CID 20680839
1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one
CID 71325657
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide (CID 23285214) is N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide is CN(C/C=C(/CN1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide?
The InChIKey is DCFCGCANKDXCHN-PKAZHMFMSA-N. The full InChI is InChI=1S/C28H32N2O2S/c1-29(33(31,32)28-15-9-4-10-16-28)20-17-27(25-13-7-3-8-14-25)23-30-21-18-26(19-22-30)24-11-5-2-6-12-24/h2-17,26H,18-23H2,1H3/b27-17-.
What are the key properties of N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide?
N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide has a molecular weight of 460.64 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide is sourced from PubChem (CID 23285214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).