N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide

C23H26N2O3S — CID 55551266

IUPACN-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H26N2O3S/c1-2-16-25(22-11-7-4-8-12-22)23(26)21-13-17-24(18-14-21)29(27,28)19-15-20-9-5-3-6-10-20/h2-12,15,19,21H,1,13-14,16-18H2/b19-15+
InChIKeyYNVBWHBYSKBPKO-XDJHFCHBSA-N
MW410.54 g/mol
LogP3.92
Rot. Bonds7

About N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide

N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 55551266) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID55551266
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H26N2O3S/c1-2-16-25(22-11-7-4-8-12-22)23(26)21-13-17-24(18-14-21)29(27,28)19-15-20-9-5-3-6-10-20/h2-12,15,19,21H,1,13-14,16-18H2/b19-15+
InChIKeyYNVBWHBYSKBPKO-XDJHFCHBSA-N
XLogP3.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 43025033
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
1-[(E)-2-phenylethenyl]sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 86847677
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9476349
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 91941986
N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435
N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
CID 51320930
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 60557462
N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016
4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide
CID 91409956

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide (CID 55551266) is N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide is C=CCN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is YNVBWHBYSKBPKO-XDJHFCHBSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-2-16-25(22-11-7-4-8-12-22)23(26)21-13-17-24(18-14-21)29(27,28)19-15-20-9-5-3-6-10-20/h2-12,15,19,21H,1,13-14,16-18H2/b19-15+.
What are the key properties of N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide?
N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 55551266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).