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

C85H102N12O24S4 — CID 158230800

IUPAC4-[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
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC4CC4)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC4CCC4)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCCC4CC4)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCCC4CCCC4)cn3)cc2)CCOCC1
InChIInChI=1S/C23H29N3O6S.2C21H25N3O6S.C20H23N3O6S/c27-22(26-28)23(10-13-31-14-11-23)33(29,30)19-7-5-18(6-8-19)20-15-25-21(16-24-20)32-12-9-17-3-1-2-4-17;25-20(24-26)21(8-11-29-12-9-21)31(27,28)17-5-3-16(4-6-17)18-13-23-19(14-22-18)30-10-7-15-1-2-15;25-20(24-26)21(8-10-29-11-9-21)31(27,28)17-6-4-16(5-7-17)18-12-23-19(13-22-18)30-14-15-2-1-3-15;24-19(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/h5-8,15-17,28H,1-4,9-14H2,(H,26,27);3-6,13-15,26H,1-2,7-12H2,(H,24,25);4-7,12-13,15,26H,1-3,8-11,14H2,(H,24,25);3-6,11-12,14,25H,1-2,7-10,13H2,(H,23,24)
InChIKeyGEIZHULBCANTMU-UHFFFAOYSA-N
MW1804.08 g/mol
LogP8.99
Rot. Bonds30

About 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

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 (PubChem CID 158230800) has the molecular formula C85H102N12O24S4 and a molecular weight of 1804.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158230800
Molecular FormulaC85H102N12O24S4
Molecular Weight1804.08 g/mol
Exact Mass1802.60
IUPAC Name4-[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
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC4CC4)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC4CCC4)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCCC4CC4)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCCC4CCCC4)cn3)cc2)CCOCC1
InChIInChI=1S/C23H29N3O6S.2C21H25N3O6S.C20H23N3O6S/c27-22(26-28)23(10-13-31-14-11-23)33(29,30)19-7-5-18(6-8-19)20-15-25-21(16-24-20)32-12-9-17-3-1-2-4-17;25-20(24-26)21(8-11-29-12-9-21)31(27,28)17-5-3-16(4-6-17)18-13-23-19(14-22-18)30-10-7-15-1-2-15;25-20(24-26)21(8-10-29-11-9-21)31(27,28)17-6-4-16(5-7-17)18-12-23-19(13-22-18)30-14-15-2-1-3-15;24-19(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/h5-8,15-17,28H,1-4,9-14H2,(H,26,27);3-6,13-15,26H,1-2,7-12H2,(H,24,25);4-7,12-13,15,26H,1-3,8-11,14H2,(H,24,25);3-6,11-12,14,25H,1-2,7-10,13H2,(H,23,24)
InChIKeyGEIZHULBCANTMU-UHFFFAOYSA-N
XLogP8.99
TPSA510.84 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001804.08
LogP ≤ 58.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10252300
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
N-(oxan-2-yloxy)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 58623161
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
4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfonyl-N-(oxan-2-yloxy)oxane-4-carboxamide
CID 161227337
4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 68965618
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
CID 58623187
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
4-[4-[4-butoxy-3-(trifluoromethyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 58623255

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC4CC4)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC4CCC4)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCCC4CC4)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCCC4CCCC4)cn3)cc2)CCOCC1.
What is the InChIKey of 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?
The InChIKey is GEIZHULBCANTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S.2C21H25N3O6S.C20H23N3O6S/c27-22(26-28)23(10-13-31-14-11-23)33(29,30)19-7-5-18(6-8-19)20-15-25-21(16-24-20)32-12-9-17-3-1-2-4-17;25-20(24-26)21(8-11-29-12-9-21)31(27,28)17-5-3-16(4-6-17)18-13-23-19(14-22-18)30-10-7-15-1-2-15;25-20(24-26)21(8-10-29-11-9-21)31(27,28)17-6-4-16(5-7-17)18-12-23-19(13-22-18)30-14-15-2-1-3-15;24-19(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/h5-8,15-17,28H,1-4,9-14H2,(H,26,27);3-6,13-15,26H,1-2,7-12H2,(H,24,25);4-7,12-13,15,26H,1-3,8-11,14H2,(H,24,25);3-6,11-12,14,25H,1-2,7-10,13H2,(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 1804.08 g/mol, XLogP of 8.99, 30 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158230800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).