(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide

C21H28N2O6S — CID 10765385

IUPAC(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](COC(C)(C)C)C(=O)NO)cc1
InChIInChI=1S/C21H28N2O6S/c1-21(2,3)29-15-19(20(24)22-25)23(14-16-8-6-5-7-9-16)30(26,27)18-12-10-17(28-4)11-13-18/h5-13,19,25H,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyMGKWVMCFDBSVCJ-LJQANCHMSA-N
MW436.53 g/mol
LogP2.58
Rot. Bonds9

About (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide

(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 10765385) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID10765385
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](COC(C)(C)C)C(=O)NO)cc1
InChIInChI=1S/C21H28N2O6S/c1-21(2,3)29-15-19(20(24)22-25)23(14-16-8-6-5-7-9-16)30(26,27)18-12-10-17(28-4)11-13-18/h5-13,19,25H,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyMGKWVMCFDBSVCJ-LJQANCHMSA-N
XLogP2.58
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.58
H-Bond Donors ≤ 52
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 (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 10765385) is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](COC(C)(C)C)C(=O)NO)cc1.
What is the InChIKey of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is MGKWVMCFDBSVCJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-21(2,3)29-15-19(20(24)22-25)23(14-16-8-6-5-7-9-16)30(26,27)18-12-10-17(28-4)11-13-18/h5-13,19,25H,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide?
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 436.53 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 10765385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).