(E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

C23H28N4O4S — CID 70980876

IUPAC(E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H28N4O4S/c28-23(8-3-19-2-1-11-24-18-19)25-20-4-6-22(7-5-20)32(29,30)27-12-9-21(10-13-27)26-14-16-31-17-15-26/h1-8,11,18,21H,9-10,12-17H2,(H,25,28)/b8-3+
InChIKeyCLBDATVAZOOTHJ-FPYGCLRLSA-N
MW456.57 g/mol
LogP2.22
Rot. Bonds6

About (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 70980876) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID70980876
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name(E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H28N4O4S/c28-23(8-3-19-2-1-11-24-18-19)25-20-4-6-22(7-5-20)32(29,30)27-12-9-21(10-13-27)26-14-16-31-17-15-26/h1-8,11,18,21H,9-10,12-17H2,(H,25,28)/b8-3+
InChIKeyCLBDATVAZOOTHJ-FPYGCLRLSA-N
XLogP2.22
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-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

N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-(4-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491
4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50913283
1-(4-Morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610246
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610365
1-[4-(3-Oxa-8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66611008
N-[4-(Piperidine-1-sulfonyl)-phenyl]-isonicotinamide
CID 655317
N-(4-{[4-(4-pyridylmethyl)piperazino]sulfonyl}phenyl)acetamide
CID 1341058
3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 2537367
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 4611324
N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide
CID 4870978
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (CID 70980876) is (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1.
What is the InChIKey of (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is CLBDATVAZOOTHJ-FPYGCLRLSA-N. The full InChI is InChI=1S/C23H28N4O4S/c28-23(8-3-19-2-1-11-24-18-19)25-20-4-6-22(7-5-20)32(29,30)27-12-9-21(10-13-27)26-14-16-31-17-15-26/h1-8,11,18,21H,9-10,12-17H2,(H,25,28)/b8-3+.
What are the key properties of (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 456.57 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 70980876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).