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

C23H24FN3O5S — CID 59704806

IUPAC2-(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
InChIInChI=1S/C23H24FN3O5S/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/h3-14,22,25,29H,15H2,1-2H3,(H,26,28)
InChIKeyOOMMMKWDYHOZLE-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.68
Rot. Bonds9

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

2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (PubChem CID 59704806) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
PubChem CID59704806
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC Name2-(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
InChIInChI=1S/C23H24FN3O5S/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/h3-14,22,25,29H,15H2,1-2H3,(H,26,28)
InChIKeyOOMMMKWDYHOZLE-UHFFFAOYSA-N
XLogP3.68
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The IUPAC name of 2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (CID 59704806) is 2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for 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.
What is the InChIKey of 2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The InChIKey is OOMMMKWDYHOZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S/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/h3-14,22,25,29H,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-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 473.53 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 59704806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).