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

C22H22N2O5S — CID 10502537

IUPAC(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-29-19-12-14-20(15-13-19)30(27,28)24(16-17-8-4-2-5-9-17)21(22(25)23-26)18-10-6-3-7-11-18/h2-15,21,26H,16H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyOEQIQWOICMQOSX-OAQYLSRUSA-N
MW426.49 g/mol
LogP3.13
Rot. Bonds8

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

(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide (PubChem CID 10502537) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide
PubChem CID10502537
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-29-19-12-14-20(15-13-19)30(27,28)24(16-17-8-4-2-5-9-17)21(22(25)23-26)18-10-6-3-7-11-18/h2-15,21,26H,16H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyOEQIQWOICMQOSX-OAQYLSRUSA-N
XLogP3.13
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.13
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
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide
CID 9843079
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
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]acetamide
CID 10594000
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10594938
2-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10618255
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-3,3-dimethylbutanamide
CID 10621353
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide (CID 10502537) is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide?
The InChIKey is OEQIQWOICMQOSX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-29-19-12-14-20(15-13-19)30(27,28)24(16-17-8-4-2-5-9-17)21(22(25)23-26)18-10-6-3-7-11-18/h2-15,21,26H,16H2,1H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide?
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide has a molecular weight of 426.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10502537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).