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

C16H20N2O5S — CID 162674317

IUPAC(2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccco2)c1)C(=O)NO
InChIInChI=1S/C16H20N2O5S/c1-3-11(2)15(16(19)17-20)18-24(21,22)13-7-4-6-12(10-13)14-8-5-9-23-14/h4-11,15,18,20H,3H2,1-2H3,(H,17,19)/t11-,15-/m0/s1
InChIKeyDGQCXFGJPUHPSH-NHYWBVRUSA-N
MW352.41 g/mol
LogP2.14
Rot. Bonds7

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

(2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide (PubChem CID 162674317) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is (2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
PubChem CID162674317
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name(2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccco2)c1)C(=O)NO
InChIInChI=1S/C16H20N2O5S/c1-3-11(2)15(16(19)17-20)18-24(21,22)13-7-4-6-12(10-13)14-8-5-9-23-14/h4-11,15,18,20H,3H2,1-2H3,(H,17,19)/t11-,15-/m0/s1
InChIKeyDGQCXFGJPUHPSH-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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Related Compounds

N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 2930513
3-(N,N-Dimethylsulfamoyl)-N-(1-(furan-2-yl)propan-2-yl)benzamide
CID 3618561
N-(1-(furan-2-yl)propan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 49676485
(2R,3R)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 162644155
(2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide
CID 162645435
(2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 162651204
(2R)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxy-4-methylpentanamide
CID 162657780
(2S,3S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 162664858
methyl p-[(S)-2-(2-furyl)-1-methylethylaminosulfonyl]benzoate
CID 34160950
3-acetyl-N-(2-(furan-3-yl)ethyl)benzenesulfonamide
CID 71798501
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 18162418
2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide
CID 24641979

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide (CID 162674317) is (2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide is CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccco2)c1)C(=O)NO.
What is the InChIKey of (2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
The InChIKey is DGQCXFGJPUHPSH-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-3-11(2)15(16(19)17-20)18-24(21,22)13-7-4-6-12(10-13)14-8-5-9-23-14/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-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
(2S,3S)-2-[[3-(furan-2-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-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide is sourced from PubChem (CID 162674317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).