N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide

C27H30N2O5S — CID 10141443

IUPACN-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide
SMILESC=C1CCC(C(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1
InChIInChI=1S/C27H30N2O5S/c1-19-7-9-21(10-8-19)27(29(31)18-30)17-35(32,33)24-13-11-23(12-14-24)34-16-22-15-20(2)28-26-6-4-3-5-25(22)26/h3-6,11-15,18,21,27,31H,1,7-10,16-17H2,2H3
InChIKeyGZISYEQJJGPWOA-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.86
Rot. Bonds9

About N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide

N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide (PubChem CID 10141443) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide
PubChem CID10141443
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC NameN-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide
SMILESC=C1CCC(C(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1
InChIInChI=1S/C27H30N2O5S/c1-19-7-9-21(10-8-19)27(29(31)18-30)17-35(32,33)24-13-11-23(12-14-24)34-16-22-15-20(2)28-26-6-4-3-5-25(22)26/h3-6,11-15,18,21,27,31H,1,7-10,16-17H2,2H3
InChIKeyGZISYEQJJGPWOA-UHFFFAOYSA-N
XLogP4.86
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide?
The IUPAC name of N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide (CID 10141443) is N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide.
What is the SMILES notation for N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide?
The canonical SMILES for N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide is C=C1CCC(C(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1.
What is the InChIKey of N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide?
The InChIKey is GZISYEQJJGPWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-19-7-9-21(10-8-19)27(29(31)18-30)17-35(32,33)24-13-11-23(12-14-24)34-16-22-15-20(2)28-26-6-4-3-5-25(22)26/h3-6,11-15,18,21,27,31H,1,7-10,16-17H2,2H3.
What are the key properties of N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide?
N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide has a molecular weight of 494.61 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-(4-methylidenecyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide is sourced from PubChem (CID 10141443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).