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

C25H29N3O5S — CID 11856682

IUPACcis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@]3(C)CCCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H29N3O5S/c1-17-15-18(21-7-3-4-9-23(21)26-17)16-33-19-10-12-20(13-11-19)34(31,32)28-25(2)14-6-5-8-22(25)24(29)27-30/h3-4,7,9-13,15,22,28,30H,5-6,8,14,16H2,1-2H3,(H,27,29)/t22-,25-/m1/s1
InChIKeyNXTPAQYERLQIOM-RCZVLFRGSA-N
MW483.59 g/mol
LogP3.85
Rot. Bonds7

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

cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 11856682) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
PubChem CID11856682
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Namecis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@]3(C)CCCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H29N3O5S/c1-17-15-18(21-7-3-4-9-23(21)26-17)16-33-19-10-12-20(13-11-19)34(31,32)28-25(2)14-6-5-8-22(25)24(29)27-30/h3-4,7,9-13,15,22,28,30H,5-6,8,14,16H2,1-2H3,(H,27,29)/t22-,25-/m1/s1
InChIKeyNXTPAQYERLQIOM-RCZVLFRGSA-N
XLogP3.85
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.85
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'}

Analyze cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-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-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide (CID 11856682) is cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@]3(C)CCCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is NXTPAQYERLQIOM-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-17-15-18(21-7-3-4-9-23(21)26-17)16-33-19-10-12-20(13-11-19)34(31,32)28-25(2)14-6-5-8-22(25)24(29)27-30/h3-4,7,9-13,15,22,28,30H,5-6,8,14,16H2,1-2H3,(H,27,29)/t22-,25-/m1/s1.
What are the key properties of cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-hydroxy-2-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 11856682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).