4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C20H23N3O6S — CID 10252300

IUPAC4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC4CC4)cn3)cc2)CCOCC1
InChIInChI=1S/C20H23N3O6S/c24-19(23-25)20(7-9-28-10-8-20)30(26,27)16-5-3-15(4-6-16)17-11-22-18(12-21-17)29-13-14-1-2-14/h3-6,11-12,14,25H,1-2,7-10,13H2,(H,23,24)
InChIKeyKHLRIDMGFYVXEL-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.76
Rot. Bonds7

About 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 10252300) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID10252300
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC4CC4)cn3)cc2)CCOCC1
InChIInChI=1S/C20H23N3O6S/c24-19(23-25)20(7-9-28-10-8-20)30(26,27)16-5-3-15(4-6-16)17-11-22-18(12-21-17)29-13-14-1-2-14/h3-6,11-12,14,25H,1-2,7-10,13H2,(H,23,24)
InChIKeyKHLRIDMGFYVXEL-UHFFFAOYSA-N
XLogP1.76
TPSA127.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.76
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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Related Compounds

4-[4-[5-(cyclobutylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[5-(2-cyclopentylethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[5-(2-cyclopropylethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 158230800
4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10410493
1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10481095
N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 159072100
4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 68965618
N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
CID 58623187
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 24993713
N-(oxan-2-yloxy)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 58623161
1-cyclopropyl-4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride
CID 162334793
N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 157129570
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 10252300) is 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC4CC4)cn3)cc2)CCOCC1.
What is the InChIKey of 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is KHLRIDMGFYVXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c24-19(23-25)20(7-9-28-10-8-20)30(26,27)16-5-3-15(4-6-16)17-11-22-18(12-21-17)29-13-14-1-2-14/h3-6,11-12,14,25H,1-2,7-10,13H2,(H,23,24).
What are the key properties of 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 10252300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).