(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide

C25H26N4O5S — CID 11855066

IUPAC(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide
SMILESC#CCN1C[C@H](C(=O)NO)[C@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1
InChIInChI=1S/C25H26N4O5S/c1-3-12-29-14-22(25(30)27-31)24(15-29)28-35(32,33)20-10-8-19(9-11-20)34-16-18-13-17(2)26-23-7-5-4-6-21(18)23/h1,4-11,13,22,24,28,31H,12,14-16H2,2H3,(H,27,30)/t22-,24+/m0/s1
InChIKeyBGZRRZZFIZMAOA-LADGPHEKSA-N
MW494.57 g/mol
LogP1.84
Rot. Bonds8

About (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide

(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide (PubChem CID 11855066) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide
PubChem CID11855066
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide
SMILESC#CCN1C[C@H](C(=O)NO)[C@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1
InChIInChI=1S/C25H26N4O5S/c1-3-12-29-14-22(25(30)27-31)24(15-29)28-35(32,33)20-10-8-19(9-11-20)34-16-18-13-17(2)26-23-7-5-4-6-21(18)23/h1,4-11,13,22,24,28,31H,12,14-16H2,2H3,(H,27,30)/t22-,24+/m0/s1
InChIKeyBGZRRZZFIZMAOA-LADGPHEKSA-N
XLogP1.84
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 51.84
H-Bond Donors ≤ 53
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'}, {'alert_name': 'triple_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]-1-prop-2-ynylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide (CID 11855066) is (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide is C#CCN1C[C@H](C(=O)NO)[C@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1.
What is the InChIKey of (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide?
The InChIKey is BGZRRZZFIZMAOA-LADGPHEKSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-3-12-29-14-22(25(30)27-31)24(15-29)28-35(32,33)20-10-8-19(9-11-20)34-16-18-13-17(2)26-23-7-5-4-6-21(18)23/h1,4-11,13,22,24,28,31H,12,14-16H2,2H3,(H,27,30)/t22-,24+/m0/s1.
What are the key properties of (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide?
(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpyrrolidine-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 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]-1-prop-2-ynylpyrrolidine-3-carboxamide is sourced from PubChem (CID 11855066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).