4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide

C19H25N3O5S — CID 154772070

IUPAC4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide
SMILESO=C(C=CC(=O)N1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H25N3O5S/c23-18(7-8-19(24)21-11-13-27-14-12-21)20-16-5-4-6-17(15-16)28(25,26)22-9-2-1-3-10-22/h4-8,15H,1-3,9-14H2,(H,20,23)
InChIKeyZYDHSNALLCYNMZ-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.21
Rot. Bonds5

About 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide

4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide (PubChem CID 154772070) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide
PubChem CID154772070
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide
SMILESO=C(C=CC(=O)N1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H25N3O5S/c23-18(7-8-19(24)21-11-13-27-14-12-21)20-16-5-4-6-17(15-16)28(25,26)22-9-2-1-3-10-22/h4-8,15H,1-3,9-14H2,(H,20,23)
InChIKeyZYDHSNALLCYNMZ-UHFFFAOYSA-N
XLogP1.21
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)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

1-morpholin-4-yl-2-(3-piperidin-1-ylsulfonylanilino)ethanone
CID 55345366
(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926310
(2E,4E)-N-(3-pyrrolidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 9415021
(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 17371690
(E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-phenylbut-2-enamide
CID 9340890
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
(E)-3-(5-methylfuran-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 26592569
(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 9403990
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 71904110
N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 56556817
4-[(E)-3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55558580

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide (CID 154772070) is 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide is O=C(C=CC(=O)N1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide?
The InChIKey is ZYDHSNALLCYNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c23-18(7-8-19(24)21-11-13-27-14-12-21)20-16-5-4-6-17(15-16)28(25,26)22-9-2-1-3-10-22/h4-8,15H,1-3,9-14H2,(H,20,23).
What are the key properties of 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide?
4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide has a molecular weight of 407.49 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide is sourced from PubChem (CID 154772070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).