(2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide

C21H27N3O6S — CID 24957161

IUPAC(2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](C(=O)NO)N3CCOCC3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyVJUDEGHVGRIZAQ-HXUWFJFHSA-N
MW449.53 g/mol
LogP1.76
Rot. Bonds8

About (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide

(2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide (PubChem CID 24957161) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
PubChem CID24957161
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name(2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](C(=O)NO)N3CCOCC3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyVJUDEGHVGRIZAQ-HXUWFJFHSA-N
XLogP1.76
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
The IUPAC name of (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide (CID 24957161) is (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide is Cc1ccc(Oc2ccc(N(C[C@H](C(=O)NO)N3CCOCC3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
The InChIKey is VJUDEGHVGRIZAQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
(2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide has a molecular weight of 449.53 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 24957161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).