(2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide

C21H24N4O5S — CID 20683083

IUPAC(2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(C)S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C21H24N4O5S/c1-15(2)20(21(26)23-27)24(3)31(28,29)19-10-8-18(9-11-19)30-17-6-4-16(5-7-17)25-13-12-22-14-25/h4-15,20,27H,1-3H3,(H,23,26)/t20-/m1/s1
InChIKeyGLRCJCNKQLZMAV-HXUWFJFHSA-N
MW444.51 g/mol
LogP2.82
Rot. Bonds8

About (2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide

(2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide (PubChem CID 20683083) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide
PubChem CID20683083
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name(2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(C)S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C21H24N4O5S/c1-15(2)20(21(26)23-27)24(3)31(28,29)19-10-8-18(9-11-19)30-17-6-4-16(5-7-17)25-13-12-22-14-25/h4-15,20,27H,1-3H3,(H,23,26)/t20-/m1/s1
InChIKeyGLRCJCNKQLZMAV-HXUWFJFHSA-N
XLogP2.82
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.82
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-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide?
The IUPAC name of (2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide (CID 20683083) is (2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(C)S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide?
The InChIKey is GLRCJCNKQLZMAV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-15(2)20(21(26)23-27)24(3)31(28,29)19-10-8-18(9-11-19)30-17-6-4-16(5-7-17)25-13-12-22-14-25/h4-15,20,27H,1-3H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide?
(2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide has a molecular weight of 444.51 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide is sourced from PubChem (CID 20683083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).