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

C24H27N3O5S — CID 11854817

IUPACcis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O5S/c1-16-14-17(20-6-3-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27(2)23-9-5-7-21(23)24(28)26-29/h3-4,6,8,10-14,21,23,29H,5,7,9,15H2,1-2H3,(H,26,28)/t21-,23+/m0/s1
InChIKeyYCPPWBXGHRHAGM-JTHBVZDNSA-N
MW469.56 g/mol
LogP3.42
Rot. Bonds7

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

cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 11854817) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
PubChem CID11854817
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Namecis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O5S/c1-16-14-17(20-6-3-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27(2)23-9-5-7-21(23)24(28)26-29/h3-4,6,8,10-14,21,23,29H,5,7,9,15H2,1-2H3,(H,26,28)/t21-,23+/m0/s1
InChIKeyYCPPWBXGHRHAGM-JTHBVZDNSA-N
XLogP3.42
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.42
H-Bond Donors ≤ 52
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide (CID 11854817) is cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is YCPPWBXGHRHAGM-JTHBVZDNSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16-14-17(20-6-3-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27(2)23-9-5-7-21(23)24(28)26-29/h3-4,6,8,10-14,21,23,29H,5,7,9,15H2,1-2H3,(H,26,28)/t21-,23+/m0/s1.
What are the key properties of cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 11854817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).