4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide

C94H118N4O28S4 — CID 158611950

About 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide

4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 158611950) has the molecular formula C94H118N4O28S4 and a molecular weight of 1880.25 g/mol. Its IUPAC name is 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 158611950
• Molecular Formula: C94H118N4O28S4
• Molecular Weight: 1880.25 g/mol
• Exact Mass: 1878.68
• IUPAC Name: 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
• SMILES: CC(C)C(=O)c1cccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c1.CC(C)c1cccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c1.COc1ccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.COc1ccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1OC
• InChI: InChI=1S/C25H31NO7S.C24H31NO6S.C23H29NO8S.C22H27NO7S/c1-18(2)23(27)20-7-3-5-19(17-20)6-4-14-33-21-8-10-22(11-9-21)34(30,31)25(24(28)26-29)12-15-32-16-13-25;1-18(2)20-7-3-5-19(17-20)6-4-14-31-21-8-10-22(11-9-21)32(28,29)24(23(26)25-27)12-15-30-16-13-24;1-29-20-10-5-17(16-21(20)30-2)4-3-13-32-18-6-8-19(9-7-18)33(27,28)23(22(25)24-26)11-14-31-15-12-23;1-28-18-6-4-17(5-7-18)3-2-14-30-19-8-10-20(11-9-19)31(26,27)22(21(24)23-25)12-15-29-16-13-22/h3,5,7-11,17-18,29H,4,6,12-16H2,1-2H3,(H,26,28);3,5,7-11,17-18,27H,4,6,12-16H2,1-2H3,(H,25,26);5-10,16,26H,3-4,11-15H2,1-2H3,(H,24,25);4-11,25H,2-3,12-16H2,1H3,(H,23,24)
• InChIKey: HWYDZFFHYCUHMN-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 452.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1880.25
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 158611950) is 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide is CC(C)C(=O)c1cccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c1.CC(C)c1cccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c1.COc1ccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.COc1ccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1OC.

What is the InChIKey of 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is HWYDZFFHYCUHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO7S.C24H31NO6S.C23H29NO8S.C22H27NO7S/c1-18(2)23(27)20-7-3-5-19(17-20)6-4-14-33-21-8-10-22(11-9-21)34(30,31)25(24(28)26-29)12-15-32-16-13-25;1-18(2)20-7-3-5-19(17-20)6-4-14-31-21-8-10-22(11-9-21)32(28,29)24(23(26)25-27)12-15-30-16-13-24;1-29-20-10-5-17(16-21(20)30-2)4-3-13-32-18-6-8-19(9-7-18)33(27,28)23(22(25)24-26)11-14-31-15-12-23;1-28-18-6-4-17(5-7-18)3-2-14-30-19-8-10-20(11-9-19)31(26,27)22(21(24)23-25)12-15-29-16-13-22/h3,5,7-11,17-18,29H,4,6,12-16H2,1-2H3,(H,26,28);3,5,7-11,17-18,27H,4,6,12-16H2,1-2H3,(H,25,26);5-10,16,26H,3-4,11-15H2,1-2H3,(H,24,25);4-11,25H,2-3,12-16H2,1H3,(H,23,24).

What are the key properties of 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?

4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 1880.25 g/mol, XLogP of 12.09, 38 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 158611950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).