2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide

C19H30N2O5S — CID 10524926

IUPAC2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O5S/c1-15(2)12-21(13-19(22)20-23)27(24,25)18-10-8-17(9-11-18)26-14-16-6-4-3-5-7-16/h8-11,15-16,23H,3-7,12-14H2,1-2H3,(H,20,22)
InChIKeyPOWDSMHQGXHJER-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.80
Rot. Bonds9

About 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide

2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (PubChem CID 10524926) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
PubChem CID10524926
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O5S/c1-15(2)12-21(13-19(22)20-23)27(24,25)18-10-8-17(9-11-18)26-14-16-6-4-3-5-7-16/h8-11,15-16,23H,3-7,12-14H2,1-2H3,(H,20,22)
InChIKeyPOWDSMHQGXHJER-UHFFFAOYSA-N
XLogP2.80
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (CID 10524926) is 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1.
What is the InChIKey of 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The InChIKey is POWDSMHQGXHJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-15(2)12-21(13-19(22)20-23)27(24,25)18-10-8-17(9-11-18)26-14-16-6-4-3-5-7-16/h8-11,15-16,23H,3-7,12-14H2,1-2H3,(H,20,22).
What are the key properties of 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide has a molecular weight of 398.53 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 10524926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).