N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide

C18H29NO4S — CID 11078779

IUPACN-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide
SMILESCCCCCCCCS(=O)(=O)C(C)(Cc1ccccc1)C(=O)NO
InChIInChI=1S/C18H29NO4S/c1-3-4-5-6-7-11-14-24(22,23)18(2,17(20)19-21)15-16-12-9-8-10-13-16/h8-10,12-13,21H,3-7,11,14-15H2,1-2H3,(H,19,20)
InChIKeyUZMHOPNYRMEVNJ-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.27
Rot. Bonds11

About N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide

N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide (PubChem CID 11078779) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide
PubChem CID11078779
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC NameN-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide
SMILESCCCCCCCCS(=O)(=O)C(C)(Cc1ccccc1)C(=O)NO
InChIInChI=1S/C18H29NO4S/c1-3-4-5-6-7-11-14-24(22,23)18(2,17(20)19-21)15-16-12-9-8-10-13-16/h8-10,12-13,21H,3-7,11,14-15H2,1-2H3,(H,19,20)
InChIKeyUZMHOPNYRMEVNJ-UHFFFAOYSA-N
XLogP3.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide (CID 11078779) is N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide is CCCCCCCCS(=O)(=O)C(C)(Cc1ccccc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide?
The InChIKey is UZMHOPNYRMEVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4S/c1-3-4-5-6-7-11-14-24(22,23)18(2,17(20)19-21)15-16-12-9-8-10-13-16/h8-10,12-13,21H,3-7,11,14-15H2,1-2H3,(H,19,20).
What are the key properties of N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide?
N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide has a molecular weight of 355.50 g/mol, XLogP of 3.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-octylsulfonyl-3-phenylpropanamide is sourced from PubChem (CID 11078779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).