(E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

C20H23N3O5S — CID 10194570

IUPAC(E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cccc(/C=C/C(=O)NO)c3)CC2)cc1
InChIInChI=1S/C20H23N3O5S/c1-28-18-8-6-17(7-9-18)22-11-13-23(14-12-22)29(26,27)19-4-2-3-16(15-19)5-10-20(24)21-25/h2-10,15,25H,11-14H2,1H3,(H,21,24)/b10-5+
InChIKeyUPIWQKZYNWDFBS-BJMVGYQFSA-N
MW417.49 g/mol
LogP1.72
Rot. Bonds6

About (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (PubChem CID 10194570) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
PubChem CID10194570
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name(E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cccc(/C=C/C(=O)NO)c3)CC2)cc1
InChIInChI=1S/C20H23N3O5S/c1-28-18-8-6-17(7-9-18)22-11-13-23(14-12-22)29(26,27)19-4-2-3-16(15-19)5-10-20(24)21-25/h2-10,15,25H,11-14H2,1H3,(H,21,24)/b10-5+
InChIKeyUPIWQKZYNWDFBS-BJMVGYQFSA-N
XLogP1.72
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]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

1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N-(2-phenylethyl)methanesulfonamide
CID 1021970
(E)-N-hydroxy-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 9902895
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9936405
(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide
CID 10111698
(E)-N-hydroxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 10126993
(E)-3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 10134605
1-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16031528
1-(2,4-dimethylbenzenesulfonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17391208
1-((2-Methoxy-5-methylphenyl)sulfonyl)-4-phenylpiperazine
CID 775526
1-Benzylsulfonyl-4-(4-methoxyphenyl)piperazine
CID 895241

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (CID 10194570) is (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is COc1ccc(N2CCN(S(=O)(=O)c3cccc(/C=C/C(=O)NO)c3)CC2)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The InChIKey is UPIWQKZYNWDFBS-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-28-18-8-6-17(7-9-18)22-11-13-23(14-12-22)29(26,27)19-4-2-3-16(15-19)5-10-20(24)21-25/h2-10,15,25H,11-14H2,1H3,(H,21,24)/b10-5+.
What are the key properties of (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide has a molecular weight of 417.49 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 10194570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).