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

C21H25N3O5S — CID 10410493

IUPAC4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC4CC4)cn3)cc2)CCOCC1
InChIInChI=1S/C21H25N3O5S/c25-20(24-26)21(9-11-29-12-10-21)30(27,28)18-7-4-16(5-8-18)19-14-22-17(13-23-19)6-3-15-1-2-15/h4-5,7-8,13-15,26H,1-3,6,9-12H2,(H,24,25)
InChIKeyPNUQEJXIIDRQCI-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.31
Rot. Bonds7

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

4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 10410493) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID10410493
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC4CC4)cn3)cc2)CCOCC1
InChIInChI=1S/C21H25N3O5S/c25-20(24-26)21(9-11-29-12-10-21)30(27,28)18-7-4-16(5-8-18)19-14-22-17(13-23-19)6-3-15-1-2-15/h4-5,7-8,13-15,26H,1-3,6,9-12H2,(H,24,25)
InChIKeyPNUQEJXIIDRQCI-UHFFFAOYSA-N
XLogP2.31
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10252300
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
1-cyclopropyl-4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride
CID 162334793
N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 159072100
N-(oxan-2-yloxy)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 58623161
4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-1-ethyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride
CID 169425851
N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
CID 58623187
1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10481095
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162309468
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-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 10410493) is 4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC4CC4)cn3)cc2)CCOCC1.
What is the InChIKey of 4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is PNUQEJXIIDRQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c25-20(24-26)21(9-11-29-12-10-21)30(27,28)18-7-4-16(5-8-18)19-14-22-17(13-23-19)6-3-15-1-2-15/h4-5,7-8,13-15,26H,1-3,6,9-12H2,(H,24,25).
What are the key properties of 4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 10410493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).