4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide

C47H51N3O15S2 — CID 158147702

About 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide

4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 158147702) has the molecular formula C47H51N3O15S2 and a molecular weight of 962.06 g/mol. Its IUPAC name is 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 158147702
• Molecular Formula: C47H51N3O15S2
• Molecular Weight: 962.06 g/mol
• Exact Mass: 961.28
• IUPAC Name: 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
• SMILES: NC(=O)c1cccc(OCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCOc3cccc(-c4ccccc4)c3)cc2)CCOCC1
• InChI: InChI=1S/C26H27NO7S.C21H24N2O8S/c28-25(27-29)26(13-15-32-16-14-26)35(30,31)24-11-9-22(10-12-24)33-17-18-34-23-8-4-7-21(19-23)20-5-2-1-3-6-20;22-19(24)15-2-1-3-17(14-15)31-13-12-30-16-4-6-18(7-5-16)32(27,28)21(20(25)23-26)8-10-29-11-9-21/h1-12,19,29H,13-18H2,(H,27,28);1-7,14,26H,8-13H2,(H2,22,24)(H,23,25)
• InChIKey: FUSHIJSBAWDHHW-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 265.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.06
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide (CID 158147702) is 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide is NC(=O)c1cccc(OCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCOc3cccc(-c4ccccc4)c3)cc2)CCOCC1.

What is the InChIKey of 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is FUSHIJSBAWDHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO7S.C21H24N2O8S/c28-25(27-29)26(13-15-32-16-14-26)35(30,31)24-11-9-22(10-12-24)33-17-18-34-23-8-4-7-21(19-23)20-5-2-1-3-6-20;22-19(24)15-2-1-3-17(14-15)31-13-12-30-16-4-6-18(7-5-16)32(27,28)21(20(25)23-26)8-10-29-11-9-21/h1-12,19,29H,13-18H2,(H,27,28);1-7,14,26H,8-13H2,(H2,22,24)(H,23,25).

What are the key properties of 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide?

4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 962.06 g/mol, XLogP of 4.71, 18 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 158147702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).