2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide

C16H18N2O5S — CID 10594000

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-16(19)17-20)11-13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H,17,19)
InChIKeyQCLOBJCDRHHNCL-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.39
Rot. Bonds7

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

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 10594000) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID10594000
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-16(19)17-20)11-13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H,17,19)
InChIKeyQCLOBJCDRHHNCL-UHFFFAOYSA-N
XLogP1.39
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.39
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
N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
(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-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
MMP-3 Inhibitor VIII
CID 10549329
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
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10594938
2-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10618255

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (CID 10594000) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is QCLOBJCDRHHNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-16(19)17-20)11-13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H,17,19).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 350.40 g/mol, XLogP of 1.39, 7 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-hydroxyacetamide is sourced from PubChem (CID 10594000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).