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

C24H27N3O5S — CID 87586520

IUPACtrans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27-23-9-5-3-7-21(23)24(28)26-29/h2,4,6,8,10-14,21,23,27,29H,3,5,7,9,15H2,1H3,(H,26,28)/t21-,23-/m0/s1
InChIKeyPRUBEBCKVHQBST-GMAHTHKFSA-N
MW469.56 g/mol
LogP3.46
Rot. Bonds7

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

trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 87586520) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
PubChem CID87586520
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Nametrans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27-23-9-5-3-7-21(23)24(28)26-29/h2,4,6,8,10-14,21,23,27,29H,3,5,7,9,15H2,1H3,(H,26,28)/t21-,23-/m0/s1
InChIKeyPRUBEBCKVHQBST-GMAHTHKFSA-N
XLogP3.46
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.46
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'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide (CID 87586520) is trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is PRUBEBCKVHQBST-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27-23-9-5-3-7-21(23)24(28)26-29/h2,4,6,8,10-14,21,23,27,29H,3,5,7,9,15H2,1H3,(H,26,28)/t21-,23-/m0/s1.
What are the key properties of trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide?
trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 87586520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).