(2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide

C15H20N4O4S2 — CID 20659994

IUPAC(2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide
SMILESNCCCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)NO
InChIInChI=1S/C15H20N4O4S2/c16-9-3-1-6-12(15(20)18-21)19-25(22,23)14-8-7-13(24-14)11-5-2-4-10-17-11/h2,4-5,7-8,10,12,19,21H,1,3,6,9,16H2,(H,18,20)/t12-/m1/s1
InChIKeyKPVZONUPNUJTGL-GFCCVEGCSA-N
MW384.48 g/mol
LogP1.09
Rot. Bonds9

About (2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide

(2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide (PubChem CID 20659994) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide.

Molecular Properties

Compound Name(2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide
PubChem CID20659994
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name(2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide
SMILESNCCCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)NO
InChIInChI=1S/C15H20N4O4S2/c16-9-3-1-6-12(15(20)18-21)19-25(22,23)14-8-7-13(24-14)11-5-2-4-10-17-11/h2,4-5,7-8,10,12,19,21H,1,3,6,9,16H2,(H,18,20)/t12-/m1/s1
InChIKeyKPVZONUPNUJTGL-GFCCVEGCSA-N
XLogP1.09
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide?
The IUPAC name of (2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide (CID 20659994) is (2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide.
What is the SMILES notation for (2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide?
The canonical SMILES for (2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide is NCCCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)NO.
What is the InChIKey of (2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide?
The InChIKey is KPVZONUPNUJTGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c16-9-3-1-6-12(15(20)18-21)19-25(22,23)14-8-7-13(24-14)11-5-2-4-10-17-11/h2,4-5,7-8,10,12,19,21H,1,3,6,9,16H2,(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide?
(2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide has a molecular weight of 384.48 g/mol, XLogP of 1.09, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-N-hydroxy-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]hexanamide is sourced from PubChem (CID 20659994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).