N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide

C17H21N5O4S — CID 139368292

IUPACN-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide
SMILESC=C(C(=O)NO)c1ccc(N2CCN(S(=O)(=O)c3nccn3C)CC2)cc1
InChIInChI=1S/C17H21N5O4S/c1-13(16(23)19-24)14-3-5-15(6-4-14)21-9-11-22(12-10-21)27(25,26)17-18-7-8-20(17)2/h3-8,24H,1,9-12H2,2H3,(H,19,23)
InChIKeyWIBCUOYTOGMRCQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.45
Rot. Bonds5

About N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide

N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide (PubChem CID 139368292) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide
PubChem CID139368292
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide
SMILESC=C(C(=O)NO)c1ccc(N2CCN(S(=O)(=O)c3nccn3C)CC2)cc1
InChIInChI=1S/C17H21N5O4S/c1-13(16(23)19-24)14-3-5-15(6-4-14)21-9-11-22(12-10-21)27(25,26)17-18-7-8-20(17)2/h3-8,24H,1,9-12H2,2H3,(H,19,23)
InChIKeyWIBCUOYTOGMRCQ-UHFFFAOYSA-N
XLogP0.45
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', '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'}

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Related Compounds

2-cyclopropyl-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine
CID 172906410
N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 11231850
4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline
CID 126895341
N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide
CID 58845142
methyl 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078599
N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 59145502
ethyl 4-(4-methylsulfonylpiperazin-1-yl)benzoate
CID 110672935
N-[(1-methylimidazol-2-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 110446701
ethyl 4-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 22515771
1-(4-bromophenyl)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-en-1-one
CID 18357123
N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 11178108
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide
CID 166209572

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide (CID 139368292) is N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide is C=C(C(=O)NO)c1ccc(N2CCN(S(=O)(=O)c3nccn3C)CC2)cc1.
What is the InChIKey of N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide?
The InChIKey is WIBCUOYTOGMRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-13(16(23)19-24)14-3-5-15(6-4-14)21-9-11-22(12-10-21)27(25,26)17-18-7-8-20(17)2/h3-8,24H,1,9-12H2,2H3,(H,19,23).
What are the key properties of N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide?
N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide has a molecular weight of 391.45 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 139368292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).