(E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide

C17H24N2O3S — CID 110306630

IUPAC(E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide
SMILESC/C(=C\C(=O)NCCS(=O)(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O3S/c1-15(16-8-4-2-5-9-16)14-17(20)18-10-13-23(21,22)19-11-6-3-7-12-19/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,18,20)/b15-14+
InChIKeyQHVOAGYBYOHHFB-CCEZHUSRSA-N
MW336.46 g/mol
LogP2.02
Rot. Bonds6

About (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide

(E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide (PubChem CID 110306630) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide
PubChem CID110306630
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide
SMILESC/C(=C\C(=O)NCCS(=O)(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O3S/c1-15(16-8-4-2-5-9-16)14-17(20)18-10-13-23(21,22)19-11-6-3-7-12-19/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,18,20)/b15-14+
InChIKeyQHVOAGYBYOHHFB-CCEZHUSRSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
CID 110346050
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782887
N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7423212
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
(Z)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-phenylbut-2-en-1-one
CID 51088984
(E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide
CID 110306654

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide (CID 110306630) is (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide is C/C(=C\C(=O)NCCS(=O)(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide?
The InChIKey is QHVOAGYBYOHHFB-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-15(16-8-4-2-5-9-16)14-17(20)18-10-13-23(21,22)19-11-6-3-7-12-19/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,18,20)/b15-14+.
What are the key properties of (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide?
(E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide has a molecular weight of 336.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide is sourced from PubChem (CID 110306630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).