2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide

C20H26N2O5S — CID 10549329

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
InChIKeyVKUYLANQOAKALN-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.81
Rot. Bonds9

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 10549329) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
PubChem CID10549329
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
InChIKeyVKUYLANQOAKALN-UHFFFAOYSA-N
XLogP2.81
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.81
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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Related Compounds

1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide
CID 445018
(3R)-N-hydroxy-2-{[4-(4-methoxyphenyl)phenyl]methyl}-1,1-dioxo-1$l^{6},2-thiazinane-3-carboxamide
CID 11429232
N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide
CID 5289389
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide
CID 9843079
N-hydroxy-2-{[4-(4-methoxyphenyl)phenyl]methyl}-1,1-dioxo-1$l^{6},2-thiazolidine-3-carboxamide
CID 10156375
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-acetamide
CID 10500886
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-2-phenylacetamide
CID 10502537
2-{[4-(cyclohexylmethoxy)benzene](2-methylpropyl)sulfonamido}-N-hydroxyacetamide
CID 10524926
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(morpholin-4-yl)butanamide
CID 10552056
N-hydroxy-2-[(4-methoxybenzene)(2-phenylethyl)sulfonamido]acetamide
CID 10570770
Hydroxamate 27
CID 10591505

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide (CID 10549329) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is VKUYLANQOAKALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 406.50 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 10549329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).