N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide

C16H23NO6S — CID 87527089

IUPACN-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide
SMILESCOc1ccc(C(=O)C(C)(CCCCC(=O)NO)S(C)(=O)=O)cc1
InChIInChI=1S/C16H23NO6S/c1-16(24(3,21)22,11-5-4-6-14(18)17-20)15(19)12-7-9-13(23-2)10-8-12/h7-10,20H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyDMKZPFYPNRJVFD-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.75
Rot. Bonds9

About N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide

N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide (PubChem CID 87527089) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide
PubChem CID87527089
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC NameN-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide
SMILESCOc1ccc(C(=O)C(C)(CCCCC(=O)NO)S(C)(=O)=O)cc1
InChIInChI=1S/C16H23NO6S/c1-16(24(3,21)22,11-5-4-6-14(18)17-20)15(19)12-7-9-13(23-2)10-8-12/h7-10,20H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyDMKZPFYPNRJVFD-UHFFFAOYSA-N
XLogP1.75
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
CID 56951127
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
2-chloro-1-(4-methoxyphenyl)-2-methylsulfonylbutan-1-one
CID 102549800
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
CID 53340782
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
2-chloro-2-iodo-1-(4-methoxyphenyl)-2-methylsulfonylethanone
CID 102549721
2-bromo-2-(hydroxymethyl)-3-(4-methoxyphenyl)-3-oxopropanenitrile
CID 102279902
methyl 2-bromo-2-(methoxymethyl)-3-(4-methoxyphenyl)-3-oxopropanoate
CID 102279905
1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 19866956
2-bromo-1,2-bis(4-methoxyphenyl)propan-1-one
CID 129261159
3-(4-methoxyphenyl)-2,2-dimethyl-3-oxopropanal
CID 121013341

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide?
The IUPAC name of N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide (CID 87527089) is N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide.
What is the SMILES notation for N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide?
The canonical SMILES for N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide is COc1ccc(C(=O)C(C)(CCCCC(=O)NO)S(C)(=O)=O)cc1.
What is the InChIKey of N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide?
The InChIKey is DMKZPFYPNRJVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-16(24(3,21)22,11-5-4-6-14(18)17-20)15(19)12-7-9-13(23-2)10-8-12/h7-10,20H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide?
N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide has a molecular weight of 357.43 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(4-methoxyphenyl)-6-methyl-6-methylsulfonyl-7-oxoheptanamide is sourced from PubChem (CID 87527089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).