N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

C22H26N6O4S — CID 90867690

IUPACN-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESO=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3cn(CCN4CCCCC4)nn3)cc2)c1)NO
InChIInChI=1S/C22H26N6O4S/c29-22(24-30)9-4-18-10-13-28(16-18)33(31,32)20-7-5-19(6-8-20)21-17-27(25-23-21)15-14-26-11-2-1-3-12-26/h4-10,13,16-17,30H,1-3,11-12,14-15H2,(H,24,29)
InChIKeyONANMLBKKJAIPO-UHFFFAOYSA-N
MW470.56 g/mol
LogP1.99
Rot. Bonds8

About N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (PubChem CID 90867690) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
PubChem CID90867690
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC NameN-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESO=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3cn(CCN4CCCCC4)nn3)cc2)c1)NO
InChIInChI=1S/C22H26N6O4S/c29-22(24-30)9-4-18-10-13-28(16-18)33(31,32)20-7-5-19(6-8-20)21-17-27(25-23-21)15-14-26-11-2-1-3-12-26/h4-10,13,16-17,30H,1-3,11-12,14-15H2,(H,24,29)
InChIKeyONANMLBKKJAIPO-UHFFFAOYSA-N
XLogP1.99
TPSA122.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'}

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Related Compounds

N-hydroxy-3-[1-[4-(1-methylpyrazol-3-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 91141363
N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 73215008
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-[3-(morpholin-4-ylmethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 73214960
(E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
CID 15985848
N-hydroxy-3-[1-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 73214839
(E)-N-hydroxy-3-[1-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 11538842
(E)-N-hydroxy-3-[1-[4-(6-methoxy-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 15985847
(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 154636041
(E)-N-hydroxy-3-[1-[4-[3-(methylsulfanylamino)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87584838
but-2-enedioic acid;3-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
CID 173004186
(E)-N-hydroxy-3-[1-[2-(3-morpholin-4-ylpropoxy)-5-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87524728

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (CID 90867690) is N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is O=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3cn(CCN4CCCCC4)nn3)cc2)c1)NO.
What is the InChIKey of N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The InChIKey is ONANMLBKKJAIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c29-22(24-30)9-4-18-10-13-28(16-18)33(31,32)20-7-5-19(6-8-20)21-17-27(25-23-21)15-14-26-11-2-1-3-12-26/h4-10,13,16-17,30H,1-3,11-12,14-15H2,(H,24,29).
What are the key properties of N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide has a molecular weight of 470.56 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is sourced from PubChem (CID 90867690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).