N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide

C18H21NO5S — CID 10992109

IUPACN-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(CS(=O)(=O)C(C)(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C18H21NO5S/c1-18(17(20)19-21,12-14-6-4-3-5-7-14)25(22,23)13-15-8-10-16(24-2)11-9-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)
InChIKeyWJPFHUMULGZBAI-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.12
Rot. Bonds7

About N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide

N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide (PubChem CID 10992109) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide
PubChem CID10992109
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(CS(=O)(=O)C(C)(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C18H21NO5S/c1-18(17(20)19-21,12-14-6-4-3-5-7-14)25(22,23)13-15-8-10-16(24-2)11-9-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)
InChIKeyWJPFHUMULGZBAI-UHFFFAOYSA-N
XLogP2.12
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.12
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 N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide (CID 10992109) is N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide is COc1ccc(CS(=O)(=O)C(C)(Cc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide?
The InChIKey is WJPFHUMULGZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-18(17(20)19-21,12-14-6-4-3-5-7-14)25(22,23)13-15-8-10-16(24-2)11-9-15/h3-11,21H,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide?
N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide has a molecular weight of 363.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)methylsulfonyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 10992109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).