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

C25H29N3O5S — CID 11856948

IUPACtrans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@H]3CCCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H29N3O5S/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/h3,5,7,9,11-15,22,24,30H,4,6,8,10,16H2,1-2H3,(H,27,29)/t22-,24-/m0/s1
InChIKeyVFDXUOWDAVISKY-UPVQGACJSA-N
MW483.59 g/mol
LogP3.81
Rot. Bonds7

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

trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 11856948) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
PubChem CID11856948
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Nametrans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@H]3CCCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H29N3O5S/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/h3,5,7,9,11-15,22,24,30H,4,6,8,10,16H2,1-2H3,(H,27,29)/t22-,24-/m0/s1
InChIKeyVFDXUOWDAVISKY-UPVQGACJSA-N
XLogP3.81
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.81
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'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide (CID 11856948) is trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N(C)[C@H]3CCCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is VFDXUOWDAVISKY-UPVQGACJSA-N. The full InChI is InChI=1S/C25H29N3O5S/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/h3,5,7,9,11-15,22,24,30H,4,6,8,10,16H2,1-2H3,(H,27,29)/t22-,24-/m0/s1.
What are the key properties of trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 11856948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).