(E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide

C24H27N3O5S — CID 87525180

IUPAC(E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccn(S(=O)(=O)C2(CN3CCOCC3)C=CC=C(c3ccccc3)C2)c1)NO
InChIInChI=1S/C24H27N3O5S/c28-23(25-29)9-8-20-10-12-27(18-20)33(30,31)24(19-26-13-15-32-16-14-26)11-4-7-22(17-24)21-5-2-1-3-6-21/h1-12,18,29H,13-17,19H2,(H,25,28)/b9-8+
InChIKeyVOWZTFMJKNZPPV-CMDGGOBGSA-N
MW469.56 g/mol
LogP2.30
Rot. Bonds7

About (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide (PubChem CID 87525180) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide
PubChem CID87525180
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name(E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccn(S(=O)(=O)C2(CN3CCOCC3)C=CC=C(c3ccccc3)C2)c1)NO
InChIInChI=1S/C24H27N3O5S/c28-23(25-29)9-8-20-10-12-27(18-20)33(30,31)24(19-26-13-15-32-16-14-26)11-4-7-22(17-24)21-5-2-1-3-6-21/h1-12,18,29H,13-17,19H2,(H,25,28)/b9-8+
InChIKeyVOWZTFMJKNZPPV-CMDGGOBGSA-N
XLogP2.30
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-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-[1-[1-[(dimethylamino)methyl]-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
CID 173099556
(E)-N-hydroxy-3-[1-[1-[2-(morpholin-4-ylmethyl)-4-phenylphenyl]prop-2-enylsulfonyl]pyrrol-3-yl]prop-2-enamide
CID 174540410
(E)-N-hydroxy-3-[1-[2-(3-morpholin-4-ylpropoxy)-5-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87524728
N-hydroxy-3-[1-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 73214960
N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 73215108
N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 73215008
(E)-N-hydroxy-3-[1-[2-[(4-methylpiperazin-1-yl)methyl]-5-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87485473
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-N-hydroxy-3-[1-[1-[4-phenyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]prop-2-enylsulfonyl]pyrrol-3-yl]prop-2-enamide
CID 174675175
[2-[[(E)-3-[1-[3-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enoyl]amino]phenyl]carbamic acid
CID 140547850
(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 154636041
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide (CID 87525180) is (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide is O=C(/C=C/c1ccn(S(=O)(=O)C2(CN3CCOCC3)C=CC=C(c3ccccc3)C2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide?
The InChIKey is VOWZTFMJKNZPPV-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H27N3O5S/c28-23(25-29)9-8-20-10-12-27(18-20)33(30,31)24(19-26-13-15-32-16-14-26)11-4-7-22(17-24)21-5-2-1-3-6-21/h1-12,18,29H,13-17,19H2,(H,25,28)/b9-8+.
What are the key properties of (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide has a molecular weight of 469.56 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[1-(morpholin-4-ylmethyl)-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide is sourced from PubChem (CID 87525180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).