(2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide

C21H32N6O5S — CID 175670642

IUPAC(2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide
SMILESCC(C)C[C@@H](C(=O)NO)C(=O)Nc1ccc(Cn2cc(CNS(=O)(=O)CC(C)C)nn2)cc1
InChIInChI=1S/C21H32N6O5S/c1-14(2)9-19(21(29)25-30)20(28)23-17-7-5-16(6-8-17)11-27-12-18(24-26-27)10-22-33(31,32)13-15(3)4/h5-8,12,14-15,19,22,30H,9-11,13H2,1-4H3,(H,23,28)(H,25,29)/t19-/m1/s1
InChIKeyNTQUMUSAQQXISN-LJQANCHMSA-N
MW480.59 g/mol
LogP1.51
Rot. Bonds12

About (2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide

(2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide (PubChem CID 175670642) has the molecular formula C21H32N6O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide
PubChem CID175670642
Molecular FormulaC21H32N6O5S
Molecular Weight480.59 g/mol
Exact Mass480.22
IUPAC Name(2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide
SMILESCC(C)C[C@@H](C(=O)NO)C(=O)Nc1ccc(Cn2cc(CNS(=O)(=O)CC(C)C)nn2)cc1
InChIInChI=1S/C21H32N6O5S/c1-14(2)9-19(21(29)25-30)20(28)23-17-7-5-16(6-8-17)11-27-12-18(24-26-27)10-22-33(31,32)13-15(3)4/h5-8,12,14-15,19,22,30H,9-11,13H2,1-4H3,(H,23,28)(H,25,29)/t19-/m1/s1
InChIKeyNTQUMUSAQQXISN-LJQANCHMSA-N
XLogP1.51
TPSA155.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide?
The IUPAC name of (2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide (CID 175670642) is (2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide.
What is the SMILES notation for (2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide?
The canonical SMILES for (2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide is CC(C)C[C@@H](C(=O)NO)C(=O)Nc1ccc(Cn2cc(CNS(=O)(=O)CC(C)C)nn2)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide?
The InChIKey is NTQUMUSAQQXISN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H32N6O5S/c1-14(2)9-19(21(29)25-30)20(28)23-17-7-5-16(6-8-17)11-27-12-18(24-26-27)10-22-33(31,32)13-15(3)4/h5-8,12,14-15,19,22,30H,9-11,13H2,1-4H3,(H,23,28)(H,25,29)/t19-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide?
(2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide has a molecular weight of 480.59 g/mol, XLogP of 1.51, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[(2-methylpropylsulfonylamino)methyl]triazol-1-yl]methyl]phenyl]propanediamide is sourced from PubChem (CID 175670642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).