(2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide

C16H20N2O5S — CID 162651204

IUPAC(2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccoc2)c1)C(=O)NO
InChIInChI=1S/C16H20N2O5S/c1-3-11(2)15(16(19)17-20)18-24(21,22)14-6-4-5-12(9-14)13-7-8-23-10-13/h4-11,15,18,20H,3H2,1-2H3,(H,17,19)/t11-,15-/m0/s1
InChIKeyHPNMUTMWRVSFOY-NHYWBVRUSA-N
MW352.41 g/mol
LogP2.14
Rot. Bonds7

About (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide

(2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide (PubChem CID 162651204) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
PubChem CID162651204
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name(2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccoc2)c1)C(=O)NO
InChIInChI=1S/C16H20N2O5S/c1-3-11(2)15(16(19)17-20)18-24(21,22)14-6-4-5-12(9-14)13-7-8-23-10-13/h4-11,15,18,20H,3H2,1-2H3,(H,17,19)/t11-,15-/m0/s1
InChIKeyHPNMUTMWRVSFOY-NHYWBVRUSA-N
XLogP2.14
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide (CID 162651204) is (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide is CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccoc2)c1)C(=O)NO.
What is the InChIKey of (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
The InChIKey is HPNMUTMWRVSFOY-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-3-11(2)15(16(19)17-20)18-24(21,22)14-6-4-5-12(9-14)13-7-8-23-10-13/h4-11,15,18,20H,3H2,1-2H3,(H,17,19)/t11-,15-/m0/s1.
What are the key properties of (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
(2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide has a molecular weight of 352.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide is sourced from PubChem (CID 162651204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).