(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide

C19H24N2O7S2 — CID 10789971

IUPAC(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCS(C)(=O)=O)C(=O)NO)cc1
InChIInChI=1S/C19H24N2O7S2/c1-28-16-8-10-17(11-9-16)30(26,27)21(14-15-6-4-3-5-7-15)18(19(22)20-23)12-13-29(2,24)25/h3-11,18,23H,12-14H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyCFHYUBUDEMRKRQ-GOSISDBHSA-N
MW456.54 g/mol
LogP1.19
Rot. Bonds10

About (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide

(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide (PubChem CID 10789971) has the molecular formula C19H24N2O7S2 and a molecular weight of 456.54 g/mol. Its IUPAC name is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide
PubChem CID10789971
Molecular FormulaC19H24N2O7S2
Molecular Weight456.54 g/mol
Exact Mass456.10
IUPAC Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCS(C)(=O)=O)C(=O)NO)cc1
InChIInChI=1S/C19H24N2O7S2/c1-28-16-8-10-17(11-9-16)30(26,27)21(14-15-6-4-3-5-7-15)18(19(22)20-23)12-13-29(2,24)25/h3-11,18,23H,12-14H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyCFHYUBUDEMRKRQ-GOSISDBHSA-N
XLogP1.19
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.19
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)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide?
The IUPAC name of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide (CID 10789971) is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide?
The canonical SMILES for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCS(C)(=O)=O)C(=O)NO)cc1.
What is the InChIKey of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide?
The InChIKey is CFHYUBUDEMRKRQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O7S2/c1-28-16-8-10-17(11-9-16)30(26,27)21(14-15-6-4-3-5-7-15)18(19(22)20-23)12-13-29(2,24)25/h3-11,18,23H,12-14H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide?
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide has a molecular weight of 456.54 g/mol, XLogP of 1.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfonylbutanamide is sourced from PubChem (CID 10789971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).