(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide

C22H24N4O5S — CID 11855070

IUPAC(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CNC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C22H24N4O5S/c1-14-10-15(18-4-2-3-5-20(18)24-14)13-31-16-6-8-17(9-7-16)32(29,30)26-21-12-23-11-19(21)22(27)25-28/h2-10,19,21,23,26,28H,11-13H2,1H3,(H,25,27)/t19-,21+/m0/s1
InChIKeyJGYHOUPNWMLSRU-PZJWPPBQSA-N
MW456.52 g/mol
LogP1.49
Rot. Bonds7

About (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide

(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide (PubChem CID 11855070) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
PubChem CID11855070
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CNC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C22H24N4O5S/c1-14-10-15(18-4-2-3-5-20(18)24-14)13-31-16-6-8-17(9-7-16)32(29,30)26-21-12-23-11-19(21)22(27)25-28/h2-10,19,21,23,26,28H,11-13H2,1H3,(H,25,27)/t19-,21+/m0/s1
InChIKeyJGYHOUPNWMLSRU-PZJWPPBQSA-N
XLogP1.49
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.49
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide (CID 11855070) is (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CNC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide?
The InChIKey is JGYHOUPNWMLSRU-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-14-10-15(18-4-2-3-5-20(18)24-14)13-31-16-6-8-17(9-7-16)32(29,30)26-21-12-23-11-19(21)22(27)25-28/h2-10,19,21,23,26,28H,11-13H2,1H3,(H,25,27)/t19-,21+/m0/s1.
What are the key properties of (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide?
(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide is sourced from PubChem (CID 11855070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).