(2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide

C25H27N3O6S — CID 10228608

IUPAC(2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@H](C(=O)NO)[C@@H]1CS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C25H27N3O6S/c1-16-13-18(21-5-3-4-6-23(21)26-16)14-34-19-7-9-20(10-8-19)35(32,33)15-24-22(25(30)27-31)11-12-28(24)17(2)29/h3-10,13,22,24,31H,11-12,14-15H2,1-2H3,(H,27,30)/t22-,24-/m0/s1
InChIKeyIKBGLOSAHCFRJG-UPVQGACJSA-N
MW497.57 g/mol
LogP2.64
Rot. Bonds7

About (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide

(2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide (PubChem CID 10228608) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide
PubChem CID10228608
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name(2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@H](C(=O)NO)[C@@H]1CS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C25H27N3O6S/c1-16-13-18(21-5-3-4-6-23(21)26-16)14-34-19-7-9-20(10-8-19)35(32,33)15-24-22(25(30)27-31)11-12-28(24)17(2)29/h3-10,13,22,24,31H,11-12,14-15H2,1-2H3,(H,27,30)/t22-,24-/m0/s1
InChIKeyIKBGLOSAHCFRJG-UPVQGACJSA-N
XLogP2.64
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.64
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'}

Analyze (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
CID 87586620
N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
CID 73127838
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxolane-3-carboxamide
CID 11855328
(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid
CID 87976885
1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 22258660
1-acetyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 68818825
N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729933
2-tert-butyl-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-1-carboxylic acid
CID 87939421
1-[1-acetyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]azetidin-3-yl]-3-hydroxypropan-2-one
CID 161030660
(3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
CID 87907354
trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 68819595
2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide
CID 130273569

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide (CID 10228608) is (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide is CC(=O)N1CC[C@H](C(=O)NO)[C@@H]1CS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide?
The InChIKey is IKBGLOSAHCFRJG-UPVQGACJSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-16-13-18(21-5-3-4-6-23(21)26-16)14-34-19-7-9-20(10-8-19)35(32,33)15-24-22(25(30)27-31)11-12-28(24)17(2)29/h3-10,13,22,24,31H,11-12,14-15H2,1-2H3,(H,27,30)/t22-,24-/m0/s1.
What are the key properties of (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide?
(2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 10228608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).