N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide

C24H25N3O6S — CID 10480434

IUPACN-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(Cc2cnc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)cn2)cc1
InChIInChI=1S/C24H25N3O6S/c1-32-20-6-2-17(3-7-20)14-19-15-26-22(16-25-19)18-4-8-21(9-5-18)34(30,31)24(23(28)27-29)10-12-33-13-11-24/h2-9,15-16,29H,10-14H2,1H3,(H,27,28)
InChIKeyHIXJUISLEYXLFB-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.57
Rot. Bonds7

About N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 10480434) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID10480434
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(Cc2cnc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)cn2)cc1
InChIInChI=1S/C24H25N3O6S/c1-32-20-6-2-17(3-7-20)14-19-15-26-22(16-25-19)18-4-8-21(9-5-18)34(30,31)24(23(28)27-29)10-12-33-13-11-24/h2-9,15-16,29H,10-14H2,1H3,(H,27,28)
InChIKeyHIXJUISLEYXLFB-UHFFFAOYSA-N
XLogP2.57
TPSA127.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (CID 10480434) is N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is COc1ccc(Cc2cnc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)cn2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is HIXJUISLEYXLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-32-20-6-2-17(3-7-20)14-19-15-26-22(16-25-19)18-4-8-21(9-5-18)34(30,31)24(23(28)27-29)10-12-33-13-11-24/h2-9,15-16,29H,10-14H2,1H3,(H,27,28).
What are the key properties of N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10480434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).