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

C23H24N4O6S — CID 11855068

IUPAC(3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CN(C=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H24N4O6S/c1-15-10-16(19-4-2-3-5-21(19)24-15)13-33-17-6-8-18(9-7-17)34(31,32)26-22-12-27(14-28)11-20(22)23(29)25-30/h2-10,14,20,22,26,30H,11-13H2,1H3,(H,25,29)/t20-,22+/m0/s1
InChIKeyGFEBLWFWQAPHPF-RBBKRZOGSA-N
MW484.53 g/mol
LogP1.36
Rot. Bonds8

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

(3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide (PubChem CID 11855068) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is (3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
PubChem CID11855068
Molecular FormulaC23H24N4O6S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC Name(3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CN(C=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H24N4O6S/c1-15-10-16(19-4-2-3-5-21(19)24-15)13-33-17-6-8-18(9-7-17)34(31,32)26-22-12-27(14-28)11-20(22)23(29)25-30/h2-10,14,20,22,26,30H,11-13H2,1H3,(H,25,29)/t20-,22+/m0/s1
InChIKeyGFEBLWFWQAPHPF-RBBKRZOGSA-N
XLogP1.36
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 (3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide (CID 11855068) is (3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CN(C=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide?
The InChIKey is GFEBLWFWQAPHPF-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H24N4O6S/c1-15-10-16(19-4-2-3-5-21(19)24-15)13-33-17-6-8-18(9-7-17)34(31,32)26-22-12-27(14-28)11-20(22)23(29)25-30/h2-10,14,20,22,26,30H,11-13H2,1H3,(H,25,29)/t20-,22+/m0/s1.
What are the key properties of (3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide?
(3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide is sourced from PubChem (CID 11855068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).