cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide

C23H25N3O6S — CID 11856418

IUPACcis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(O)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H25N3O6S/c1-15-13-16(19-5-2-3-6-20(19)24-15)14-32-17-8-10-18(11-9-17)33(30,31)26-21-7-4-12-23(21,28)22(27)25-29/h2-3,5-6,8-11,13,21,26,28-29H,4,7,12,14H2,1H3,(H,25,27)/t21-,23-/m1/s1
InChIKeyZYWDGGHUEGUMLY-FYYLOGMGSA-N
MW471.54 g/mol
LogP2.19
Rot. Bonds7

About cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide

cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 11856418) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
PubChem CID11856418
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Namecis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(O)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H25N3O6S/c1-15-13-16(19-5-2-3-6-20(19)24-15)14-32-17-8-10-18(11-9-17)33(30,31)26-21-7-4-12-23(21,28)22(27)25-29/h2-3,5-6,8-11,13,21,26,28-29H,4,7,12,14H2,1H3,(H,25,27)/t21-,23-/m1/s1
InChIKeyZYWDGGHUEGUMLY-FYYLOGMGSA-N
XLogP2.19
TPSA137.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.19
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 cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide (CID 11856418) is cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(O)C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is ZYWDGGHUEGUMLY-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-15-13-16(19-5-2-3-6-20(19)24-15)14-32-17-8-10-18(11-9-17)33(30,31)26-21-7-4-12-23(21,28)22(27)25-29/h2-3,5-6,8-11,13,21,26,28-29H,4,7,12,14H2,1H3,(H,25,27)/t21-,23-/m1/s1.
What are the key properties of cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 2.19, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N,1-dihydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 11856418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).