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

C19H24N2O5S2 — CID 10693625

IUPAC(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCSC)C(=O)NO)cc1
InChIInChI=1S/C19H24N2O5S2/c1-26-16-8-10-17(11-9-16)28(24,25)21(14-15-6-4-3-5-7-15)18(12-13-27-2)19(22)20-23/h3-11,18,23H,12-14H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyRRQKNMDFRICFCC-GOSISDBHSA-N
MW424.54 g/mol
LogP2.51
Rot. Bonds10

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

(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide (PubChem CID 10693625) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide
PubChem CID10693625
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCSC)C(=O)NO)cc1
InChIInChI=1S/C19H24N2O5S2/c1-26-16-8-10-17(11-9-16)28(24,25)21(14-15-6-4-3-5-7-15)18(12-13-27-2)19(22)20-23/h3-11,18,23H,12-14H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyRRQKNMDFRICFCC-GOSISDBHSA-N
XLogP2.51
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.51
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-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide (CID 10693625) is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCSC)C(=O)NO)cc1.
What is the InChIKey of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide?
The InChIKey is RRQKNMDFRICFCC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-26-16-8-10-17(11-9-16)28(24,25)21(14-15-6-4-3-5-7-15)18(12-13-27-2)19(22)20-23/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-methylsulfanylbutanamide?
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylsulfanylbutanamide has a molecular weight of 424.54 g/mol, XLogP of 2.51, 10 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-4-methylsulfanylbutanamide is sourced from PubChem (CID 10693625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).