(1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide

C25H27N3O5S — CID 11854816

IUPAC(1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CC=CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H27N3O5S/c1-17-15-18(21-7-3-5-9-23(21)26-17)16-33-19-11-13-20(14-12-19)34(31,32)28(2)24-10-6-4-8-22(24)25(29)27-30/h3-7,9,11-15,22,24,30H,8,10,16H2,1-2H3,(H,27,29)/t22-,24+/m0/s1
InChIKeyLGZMOIBKWSJFQT-LADGPHEKSA-N
MW481.57 g/mol
LogP3.58
Rot. Bonds7

About (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide

(1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide (PubChem CID 11854816) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide
PubChem CID11854816
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name(1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CC=CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H27N3O5S/c1-17-15-18(21-7-3-5-9-23(21)26-17)16-33-19-11-13-20(14-12-19)34(31,32)28(2)24-10-6-4-8-22(24)25(29)27-30/h3-7,9,11-15,22,24,30H,8,10,16H2,1-2H3,(H,27,29)/t22-,24+/m0/s1
InChIKeyLGZMOIBKWSJFQT-LADGPHEKSA-N
XLogP3.58
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-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 (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide (CID 11854816) is (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CC=CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide?
The InChIKey is LGZMOIBKWSJFQT-LADGPHEKSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-17-15-18(21-7-3-5-9-23(21)26-17)16-33-19-11-13-20(14-12-19)34(31,32)28(2)24-10-6-4-8-22(24)25(29)27-30/h3-7,9,11-15,22,24,30H,8,10,16H2,1-2H3,(H,27,29)/t22-,24+/m0/s1.
What are the key properties of (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide?
(1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 11854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).