2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

C69H73F2N9O15S3 — CID 162223364

IUPAC2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(CC(Nc3ccc(F)cc3)C(=O)NO)S(C)(=O)=O)cc2)cc1.Cc1ccc(Oc2ccc(N(CC(Nc3cccc(F)c3)C(=O)NO)S(C)(=O)=O)cc2)cc1.Cc1ccc(Oc2ccc(N(CC(Nc3ccccc3)C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/2C23H24FN3O5S.C23H25N3O5S/c1-16-3-11-20(12-4-16)32-21-13-9-19(10-14-21)27(33(2,30)31)15-22(23(28)26-29)25-18-7-5-17(24)6-8-18;1-16-6-10-20(11-7-16)32-21-12-8-19(9-13-21)27(33(2,30)31)15-22(23(28)26-29)25-18-5-3-4-17(24)14-18;1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h2*3-14,22,25,29H,15H2,1-2H3,(H,26,28);3-15,22,24,28H,16H2,1-2H3,(H,25,27)
InChIKeyZUKUSWBAFLOCGY-UHFFFAOYSA-N
MW1402.59 g/mol
LogP10.90
Rot. Bonds27

About 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (PubChem CID 162223364) has the molecular formula C69H73F2N9O15S3 and a molecular weight of 1402.59 g/mol. Its IUPAC name is 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound Name2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
PubChem CID162223364
Molecular FormulaC69H73F2N9O15S3
Molecular Weight1402.59 g/mol
Exact Mass1401.44
IUPAC Name2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(CC(Nc3ccc(F)cc3)C(=O)NO)S(C)(=O)=O)cc2)cc1.Cc1ccc(Oc2ccc(N(CC(Nc3cccc(F)c3)C(=O)NO)S(C)(=O)=O)cc2)cc1.Cc1ccc(Oc2ccc(N(CC(Nc3ccccc3)C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/2C23H24FN3O5S.C23H25N3O5S/c1-16-3-11-20(12-4-16)32-21-13-9-19(10-14-21)27(33(2,30)31)15-22(23(28)26-29)25-18-7-5-17(24)6-8-18;1-16-6-10-20(11-7-16)32-21-12-8-19(9-13-21)27(33(2,30)31)15-22(23(28)26-29)25-18-5-3-4-17(24)14-18;1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h2*3-14,22,25,29H,15H2,1-2H3,(H,26,28);3-15,22,24,28H,16H2,1-2H3,(H,25,27)
InChIKeyZUKUSWBAFLOCGY-UHFFFAOYSA-N
XLogP10.90
TPSA323.91 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001402.59
LogP ≤ 510.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

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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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The IUPAC name of 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (CID 162223364) is 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is Cc1ccc(Oc2ccc(N(CC(Nc3ccc(F)cc3)C(=O)NO)S(C)(=O)=O)cc2)cc1.Cc1ccc(Oc2ccc(N(CC(Nc3cccc(F)c3)C(=O)NO)S(C)(=O)=O)cc2)cc1.Cc1ccc(Oc2ccc(N(CC(Nc3ccccc3)C(=O)NO)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The InChIKey is ZUKUSWBAFLOCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24FN3O5S.C23H25N3O5S/c1-16-3-11-20(12-4-16)32-21-13-9-19(10-14-21)27(33(2,30)31)15-22(23(28)26-29)25-18-7-5-17(24)6-8-18;1-16-6-10-20(11-7-16)32-21-12-8-19(9-13-21)27(33(2,30)31)15-22(23(28)26-29)25-18-5-3-4-17(24)14-18;1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h2*3-14,22,25,29H,15H2,1-2H3,(H,26,28);3-15,22,24,28H,16H2,1-2H3,(H,25,27).
What are the key properties of 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide has a molecular weight of 1402.59 g/mol, XLogP of 10.90, 27 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(3-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide;2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 162223364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).