(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide

C22H26N2O3S — CID 55347658

IUPAC(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide
SMILESCC1CC(C)CN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C1
InChIInChI=1S/C22H26N2O3S/c1-17-14-18(2)16-24(15-17)22(25)20-8-10-21(11-9-20)23-28(26,27)13-12-19-6-4-3-5-7-19/h3-13,17-18,23H,14-16H2,1-2H3/b13-12+
InChIKeyUEWDEKBVPQUTST-OUKQBFOZSA-N
MW398.53 g/mol
LogP4.22
Rot. Bonds5

About (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide

(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide (PubChem CID 55347658) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide
PubChem CID55347658
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide
SMILESCC1CC(C)CN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C1
InChIInChI=1S/C22H26N2O3S/c1-17-14-18(2)16-24(15-17)22(25)20-8-10-21(11-9-20)23-28(26,27)13-12-19-6-4-3-5-7-19/h3-13,17-18,23H,14-16H2,1-2H3/b13-12+
InChIKeyUEWDEKBVPQUTST-OUKQBFOZSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]-2-phenylethenesulfonamide
CID 9164284
(E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide
CID 55349767
[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 7462212
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55723283
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
(3S,4S)-1-[4-(benzenesulfonamido)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952283
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315088
N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 6187731
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide (CID 55347658) is (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide is CC1CC(C)CN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C1.
What is the InChIKey of (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide?
The InChIKey is UEWDEKBVPQUTST-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-17-14-18(2)16-24(15-17)22(25)20-8-10-21(11-9-20)23-28(26,27)13-12-19-6-4-3-5-7-19/h3-13,17-18,23H,14-16H2,1-2H3/b13-12+.
What are the key properties of (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide?
(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 55347658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).