(E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

C23H25N5O4S — CID 15985053

IUPAC(E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESCN1CCN(c2cc(-c3ccc(S(=O)(=O)n4ccc(/C=C/C(=O)NO)c4)cc3)ccn2)CC1
InChIInChI=1S/C23H25N5O4S/c1-26-12-14-27(15-13-26)22-16-20(8-10-24-22)19-3-5-21(6-4-19)33(31,32)28-11-9-18(17-28)2-7-23(29)25-30/h2-11,16-17,30H,12-15H2,1H3,(H,25,29)/b7-2+
InChIKeyDHZRVOHXKJPRGN-FARCUNLSSA-N
MW467.55 g/mol
LogP2.06
Rot. Bonds6

About (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (PubChem CID 15985053) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
PubChem CID15985053
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name(E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESCN1CCN(c2cc(-c3ccc(S(=O)(=O)n4ccc(/C=C/C(=O)NO)c4)cc3)ccn2)CC1
InChIInChI=1S/C23H25N5O4S/c1-26-12-14-27(15-13-26)22-16-20(8-10-24-22)19-3-5-21(6-4-19)33(31,32)28-11-9-18(17-28)2-7-23(29)25-30/h2-11,16-17,30H,12-15H2,1H3,(H,25,29)/b7-2+
InChIKeyDHZRVOHXKJPRGN-FARCUNLSSA-N
XLogP2.06
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]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

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (CID 15985053) is (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is CN1CCN(c2cc(-c3ccc(S(=O)(=O)n4ccc(/C=C/C(=O)NO)c4)cc3)ccn2)CC1.
What is the InChIKey of (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The InChIKey is DHZRVOHXKJPRGN-FARCUNLSSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-26-12-14-27(15-13-26)22-16-20(8-10-24-22)19-3-5-21(6-4-19)33(31,32)28-11-9-18(17-28)2-7-23(29)25-30/h2-11,16-17,30H,12-15H2,1H3,(H,25,29)/b7-2+.
What are the key properties of (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide has a molecular weight of 467.55 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is sourced from PubChem (CID 15985053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).