trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide

C24H27N3O5S — CID 11856677

IUPACtrans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(C)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O5S/c1-16-14-17(20-6-3-4-7-21(20)25-16)15-32-18-9-11-19(12-10-18)33(30,31)27-22-8-5-13-24(22,2)23(28)26-29/h3-4,6-7,9-12,14,22,27,29H,5,8,13,15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1
InChIKeyXCMYDYMUMRJGDR-VWNXMTODSA-N
MW469.56 g/mol
LogP3.46
Rot. Bonds7

About trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide

trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 11856677) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
PubChem CID11856677
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Nametrans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(C)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O5S/c1-16-14-17(20-6-3-4-7-21(20)25-16)15-32-18-9-11-19(12-10-18)33(30,31)27-22-8-5-13-24(22,2)23(28)26-29/h3-4,6-7,9-12,14,22,27,29H,5,8,13,15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1
InChIKeyXCMYDYMUMRJGDR-VWNXMTODSA-N
XLogP3.46
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide (CID 11856677) is trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(C)C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is XCMYDYMUMRJGDR-VWNXMTODSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16-14-17(20-6-3-4-7-21(20)25-16)15-32-18-9-11-19(12-10-18)33(30,31)27-22-8-5-13-24(22,2)23(28)26-29/h3-4,6-7,9-12,14,22,27,29H,5,8,13,15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1.
What are the key properties of trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-hydroxy-1-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 11856677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).